# generated using pymatgen data_Ba2NdCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89381700 _cell_length_b 3.95845800 _cell_length_c 11.89947000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NdCu3O7 _chemical_formula_sum 'Ba2 Nd1 Cu3 O7' _cell_volume 183.41261238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.50000000 0.50000000 0.82080200 1.0 Ba Ba1 1 0.50000000 0.50000000 0.17919800 1.0 Nd Nd2 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.65280100 1.0 Cu Cu4 1 0.00000000 0.00000000 0.34719900 1.0 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1.0 O O6 1 0.00000000 0.00000000 0.84207800 1.0 O O7 1 0.00000000 0.00000000 0.15792200 1.0 O O8 1 0.00000000 0.50000000 0.62889200 1.0 O O9 1 0.00000000 0.50000000 0.37110800 1.0 O O10 1 0.50000000 0.00000000 0.62769000 1.0 O O11 1 0.50000000 0.00000000 0.37231000 1.0 O O12 1 0.00000000 0.50000000 0.00000000 1.0