data_findsym-output _audit_creation_method FINDSYM _cell_length_a 14.7239527989 _cell_length_b 14.7239527989 _cell_length_c 14.7239527989 _cell_angle_alpha 90.0000000000 _cell_angle_beta 90.0000000000 _cell_angle_gamma 90.0000000000 _symmetry_space_group_name_H-M "F 41/d -3 2/m (origin choice 2)" _symmetry_Int_Tables_number 227 _space_group.reference_setting '227:-F 4vw 2vw 3' _space_group.transform_Pp_abc a,b,c;0,0,0 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 x,-y+1/4,-z+1/4 3 -x+1/4,y,-z+1/4 4 -x+1/4,-y+1/4,z 5 y,z,x 6 y,-z+1/4,-x+1/4 7 -y+1/4,z,-x+1/4 8 -y+1/4,-z+1/4,x 9 z,x,y 10 z,-x+1/4,-y+1/4 11 -z+1/4,x,-y+1/4 12 -z+1/4,-x+1/4,y 13 -y,-x,-z 14 -y,x+1/4,z+1/4 15 y+1/4,-x,z+1/4 16 y+1/4,x+1/4,-z 17 -x,-z,-y 18 -x,z+1/4,y+1/4 19 x+1/4,-z,y+1/4 20 x+1/4,z+1/4,-y 21 -z,-y,-x 22 -z,y+1/4,x+1/4 23 z+1/4,-y,x+1/4 24 z+1/4,y+1/4,-x 25 -x,-y,-z 26 -x,y+1/4,z+1/4 27 x+1/4,-y,z+1/4 28 x+1/4,y+1/4,-z 29 -y,-z,-x 30 -y,z+1/4,x+1/4 31 y+1/4,-z,x+1/4 32 y+1/4,z+1/4,-x 33 -z,-x,-y 34 -z,x+1/4,y+1/4 35 z+1/4,-x,y+1/4 36 z+1/4,x+1/4,-y 37 y,x,z 38 y,-x+1/4,-z+1/4 39 -y+1/4,x,-z+1/4 40 -y+1/4,-x+1/4,z 41 x,z,y 42 x,-z+1/4,-y+1/4 43 -x+1/4,z,-y+1/4 44 -x+1/4,-z+1/4,y 45 z,y,x 46 z,-y+1/4,-x+1/4 47 -z+1/4,y,-x+1/4 48 -z+1/4,-y+1/4,x 49 x,y+1/2,z+1/2 50 x,-y+3/4,-z+3/4 51 -x+1/4,y+1/2,-z+3/4 52 -x+1/4,-y+3/4,z+1/2 53 y,z+1/2,x+1/2 54 y,-z+3/4,-x+3/4 55 -y+1/4,z+1/2,-x+3/4 56 -y+1/4,-z+3/4,x+1/2 57 z,x+1/2,y+1/2 58 z,-x+3/4,-y+3/4 59 -z+1/4,x+1/2,-y+3/4 60 -z+1/4,-x+3/4,y+1/2 61 -y,-x+1/2,-z+1/2 62 -y,x+3/4,z+3/4 63 y+1/4,-x+1/2,z+3/4 64 y+1/4,x+3/4,-z+1/2 65 -x,-z+1/2,-y+1/2 66 -x,z+3/4,y+3/4 67 x+1/4,-z+1/2,y+3/4 68 x+1/4,z+3/4,-y+1/2 69 -z,-y+1/2,-x+1/2 70 -z,y+3/4,x+3/4 71 z+1/4,-y+1/2,x+3/4 72 z+1/4,y+3/4,-x+1/2 73 -x,-y+1/2,-z+1/2 74 -x,y+3/4,z+3/4 75 x+1/4,-y+1/2,z+3/4 76 x+1/4,y+3/4,-z+1/2 77 -y,-z+1/2,-x+1/2 78 -y,z+3/4,x+3/4 79 y+1/4,-z+1/2,x+3/4 80 y+1/4,z+3/4,-x+1/2 81 -z,-x+1/2,-y+1/2 82 -z,x+3/4,y+3/4 83 z+1/4,-x+1/2,y+3/4 84 z+1/4,x+3/4,-y+1/2 85 y,x+1/2,z+1/2 86 y,-x+3/4,-z+3/4 87 -y+1/4,x+1/2,-z+3/4 88 -y+1/4,-x+3/4,z+1/2 89 x,z+1/2,y+1/2 90 x,-z+3/4,-y+3/4 91 -x+1/4,z+1/2,-y+3/4 92 -x+1/4,-z+3/4,y+1/2 93 z,y+1/2,x+1/2 94 z,-y+3/4,-x+3/4 95 -z+1/4,y+1/2,-x+3/4 96 -z+1/4,-y+3/4,x+1/2 97 x+1/2,y,z+1/2 98 x+1/2,-y+1/4,-z+3/4 99 -x+3/4,y,-z+3/4 100 -x+3/4,-y+1/4,z+1/2 101 y+1/2,z,x+1/2 102 y+1/2,-z+1/4,-x+3/4 103 -y+3/4,z,-x+3/4 104 -y+3/4,-z+1/4,x+1/2 105 z+1/2,x,y+1/2 106 z+1/2,-x+1/4,-y+3/4 107 -z+3/4,x,-y+3/4 108 -z+3/4,-x+1/4,y+1/2 109 -y+1/2,-x,-z+1/2 110 -y+1/2,x+1/4,z+3/4 111 y+3/4,-x,z+3/4 112 y+3/4,x+1/4,-z+1/2 113 -x+1/2,-z,-y+1/2 114 -x+1/2,z+1/4,y+3/4 115 x+3/4,-z,y+3/4 116 x+3/4,z+1/4,-y+1/2 117 -z+1/2,-y,-x+1/2 118 -z+1/2,y+1/4,x+3/4 119 z+3/4,-y,x+3/4 120 z+3/4,y+1/4,-x+1/2 121 -x+1/2,-y,-z+1/2 122 -x+1/2,y+1/4,z+3/4 123 x+3/4,-y,z+3/4 124 x+3/4,y+1/4,-z+1/2 125 -y+1/2,-z,-x+1/2 126 -y+1/2,z+1/4,x+3/4 127 y+3/4,-z,x+3/4 128 y+3/4,z+1/4,-x+1/2 129 -z+1/2,-x,-y+1/2 130 -z+1/2,x+1/4,y+3/4 131 z+3/4,-x,y+3/4 132 z+3/4,x+1/4,-y+1/2 133 y+1/2,x,z+1/2 134 y+1/2,-x+1/4,-z+3/4 135 -y+3/4,x,-z+3/4 136 -y+3/4,-x+1/4,z+1/2 137 x+1/2,z,y+1/2 138 x+1/2,-z+1/4,-y+3/4 139 -x+3/4,z,-y+3/4 140 -x+3/4,-z+1/4,y+1/2 141 z+1/2,y,x+1/2 142 z+1/2,-y+1/4,-x+3/4 143 -z+3/4,y,-x+3/4 144 -z+3/4,-y+1/4,x+1/2 145 x+1/2,y+1/2,z 146 x+1/2,-y+3/4,-z+1/4 147 -x+3/4,y+1/2,-z+1/4 148 -x+3/4,-y+3/4,z 149 y+1/2,z+1/2,x 150 y+1/2,-z+3/4,-x+1/4 151 -y+3/4,z+1/2,-x+1/4 152 -y+3/4,-z+3/4,x 153 z+1/2,x+1/2,y 154 z+1/2,-x+3/4,-y+1/4 155 -z+3/4,x+1/2,-y+1/4 156 -z+3/4,-x+3/4,y 157 -y+1/2,-x+1/2,-z 158 -y+1/2,x+3/4,z+1/4 159 y+3/4,-x+1/2,z+1/4 160 y+3/4,x+3/4,-z 161 -x+1/2,-z+1/2,-y 162 -x+1/2,z+3/4,y+1/4 163 x+3/4,-z+1/2,y+1/4 164 x+3/4,z+3/4,-y 165 -z+1/2,-y+1/2,-x 166 -z+1/2,y+3/4,x+1/4 167 z+3/4,-y+1/2,x+1/4 168 z+3/4,y+3/4,-x 169 -x+1/2,-y+1/2,-z 170 -x+1/2,y+3/4,z+1/4 171 x+3/4,-y+1/2,z+1/4 172 x+3/4,y+3/4,-z 173 -y+1/2,-z+1/2,-x 174 -y+1/2,z+3/4,x+1/4 175 y+3/4,-z+1/2,x+1/4 176 y+3/4,z+3/4,-x 177 -z+1/2,-x+1/2,-y 178 -z+1/2,x+3/4,y+1/4 179 z+3/4,-x+1/2,y+1/4 180 z+3/4,x+3/4,-y 181 y+1/2,x+1/2,z 182 y+1/2,-x+3/4,-z+1/4 183 -y+3/4,x+1/2,-z+1/4 184 -y+3/4,-x+3/4,z 185 x+1/2,z+1/2,y 186 x+1/2,-z+3/4,-y+1/4 187 -x+3/4,z+1/2,-y+1/4 188 -x+3/4,-z+3/4,y 189 z+1/2,y+1/2,x 190 z+1/2,-y+3/4,-x+1/4 191 -z+3/4,y+1/2,-x+1/4 192 -z+3/4,-y+3/4,x loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si1 Si 8 a 0.12500 0.12500 0.12500 1.00000 Si2 Si 32 e 0.21700 0.21700 0.21700 1.00000 Si3 Si 96 g 0.68254 0.68254 0.37051 1.00000 # end of cif