data_findsym-output _audit_creation_method FINDSYM _cell_length_a 7.1123787700 _cell_length_b 11.6622199631 _cell_length_c 12.2701553300 _cell_angle_alpha 70.9785717736 _cell_angle_beta 73.5662810000 _cell_angle_gamma 83.9006172330 _symmetry_space_group_name_H-M "P -1" _symmetry_Int_Tables_number 2 _space_group.reference_setting '002:-P 1' _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,-z 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 P1 P 2 i 0.41198 0.32646 0.85321 1.00000 P2 P 2 i 0.28233 0.47261 0.72750 1.00000 P3 P 2 i 0.15998 0.58099 0.85044 1.00000 P4 P 2 i 0.03333 0.72390 0.72296 1.00000 P5 P 2 i 0.89739 0.84033 0.83395 1.00000 P6 P 2 i 0.75927 -0.02736 0.70457 1.00000 P7 P 2 i 0.66719 0.06880 0.83826 1.00000 P8 P 2 i 0.53058 0.22308 0.72731 1.00000 P9 P 2 i 0.79924 0.48912 0.65228 1.00000 P10 P 2 i 0.54055 0.58042 0.59342 1.00000 P11 P 2 i 0.54994 0.74056 0.65031 1.00000 P12 P 2 i 0.29415 0.82975 0.58807 1.00000 P13 P 2 i 0.27572 0.00101 0.62922 1.00000 P14 P 2 i 0.01710 0.08280 0.56593 1.00000 P15 P 2 i 0.04726 0.23037 0.63448 1.00000 P16 P 2 i 0.78804 0.33337 0.59151 1.00000 P17 P 2 i 0.69196 0.39706 0.84528 1.00000 P18 P 2 i 0.40555 0.68550 0.84279 1.00000 P19 P 2 i 0.13816 -0.04571 0.82592 1.00000 P20 P 2 i -0.03921 0.13052 0.83003 1.00000 P21 P 2 i 0.61552 0.55076 -0.07965 1.00000 # end of cif