# CIF generated by HEAS from Alexandria entry agm003845712 data_agm003845712 _cell_length_a 4.14158 _cell_length_b 3.03228 _cell_length_c 6.94014 _cell_angle_alpha 75.30037 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 84.30458 _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 0.50000 0.82871 0.77565 1.00000 Cu1 Cu 0.00000 0.16081 0.06894 1.00000 Cu2 Cu 0.50000 0.02814 0.27519 1.00000 Mo1 Mo 0.00000 0.48234 0.38022 1.00000