# CIF generated by HEAS from Alexandria entry agm002000391 data_agm002000391 _cell_length_a 3.23115 _cell_length_b 3.23115 _cell_length_c 8.62152 _cell_angle_alpha 79.19958 _cell_angle_beta 79.19958 _cell_angle_gamma 60.00000 _cell_volume 76.10549 _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 B1 B 0.50000 0.50000 0.50000 1.00000 Pa1 Pa 0.00000 0.00000 0.00000 1.00000 Se1 Se 0.11472 0.11472 0.65584 1.00000 Se2 Se 0.88528 0.88528 0.34416 1.00000