# CIF generated by HEAS from Alexandria entry agm002145706 data_agm002145706 _cell_length_a 4.48847 _cell_length_b 4.41411 _cell_length_c 4.41411 _cell_angle_alpha 120.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 75.73813 _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 Cu1 Cu 0.50000 0.33333 0.66667 1.00000 Cu2 Cu 0.50000 0.66667 0.33333 1.00000