# CIF generated by HEAS from Alexandria entry agm003845721 data_agm003845721 _cell_length_a 3.90865 _cell_length_b 3.92697 _cell_length_c 9.06013 _cell_angle_alpha 64.30059 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 125.30918 _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 0.99397 0.00695 1.00000 Ba2 Ba 0.00000 0.50603 0.49305 1.00000 Cu1 Cu 0.50000 0.25000 0.25000 1.00000 Mo1 Mo 0.50000 0.75000 0.75000 1.00000