# CIF generated by HEAS from Alexandria entry agm001831007 data_agm001831007 _cell_length_a 3.42169 _cell_length_b 3.42169 _cell_length_c 5.08719 _cell_angle_alpha 109.65184 _cell_angle_beta 109.65184 _cell_angle_gamma 90.00000 _cell_volume 52.39293 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S1 S 0.01277 0.01277 0.02554 1.00000 Pa1 Pa 0.68105 0.68105 0.36211 1.00000 F1 F 0.30618 0.30618 0.61236 1.00000