# CIF generated by HEAS from Alexandria entry agm005199866 data_agm005199866 _cell_length_a 4.08407 _cell_length_b 4.08331 _cell_length_c 5.78105 _cell_angle_alpha 90.00445 _cell_angle_beta 90.00002 _cell_angle_gamma 90.00007 _cell_volume 96.40769 _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 Pm1 Pm 0.50000 0.39144 0.09256 1.00000 Th1 Th 0.00000 0.89159 0.59234 1.00000 P1 P 0.00000 0.89144 0.09231 1.00000 S1 S 0.50000 0.39160 0.59255 1.00000