# CIF generated by HEAS from Alexandria entry agm004787645 data_agm004787645 _cell_length_a 6.31776 _cell_length_b 6.56094 _cell_length_c 6.56094 _cell_angle_alpha 72.42712 _cell_angle_beta 61.21874 _cell_angle_gamma 61.21874 _cell_volume 208.04049 _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 Ba1 Ba 0.00000 0.00000 0.00000 1.00000 Cr1 Cr 0.50000 0.50000 0.50000 1.00000 Cu1 Cu 0.14763 0.35237 0.35237 1.00000 Cu2 Cu 0.85237 0.64763 0.64763 1.00000 Se1 Se 0.45941 0.15765 0.51197 1.00000 Se2 Se 0.12903 0.84235 0.48803 1.00000 Se3 Se 0.87097 0.51197 0.15765 1.00000 Se4 Se 0.54059 0.48803 0.84235 1.00000