# CIF generated by HEAS from Alexandria entry agm005198404 data_agm005198404 _cell_length_a 4.09459 _cell_length_b 4.09459 _cell_length_c 7.27087 _cell_angle_alpha 73.64579 _cell_angle_beta 73.64579 _cell_angle_gamma 60.00000 _cell_volume 99.83347 _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 Ca1 Ca 0.99574 0.99574 0.01278 1.00000 Nd1 Nd 0.50393 0.50393 0.48820 1.00000 Se1 Se 0.74796 0.74796 0.75612 1.00000 S1 S 0.25237 0.25237 0.24290 1.00000