# generated using pymatgen data_Ba4PrNd(Cu3O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88956700 _cell_length_b 3.95935100 _cell_length_c 23.80218100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4PrNd(Cu3O7)2 _chemical_formula_sum 'Ba4 Pr1 Nd1 Cu6 O14' _cell_volume 366.55741934 _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 0.83976900 1.0 Ba Ba1 1 0.50000000 0.50000000 0.33963700 1.0 Ba Ba2 1 0.50000000 0.50000000 0.16023100 1.0 Ba Ba3 1 0.50000000 0.50000000 0.66036300 1.0 Pr Pr4 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd5 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.92305500 1.0 Cu Cu7 1 0.00000000 0.00000000 0.42255300 1.0 Cu Cu8 1 0.00000000 0.00000000 0.07694500 1.0 Cu Cu9 1 0.00000000 0.00000000 0.57744700 1.0 Cu Cu10 1 0.00000000 0.00000000 0.75002800 1.0 Cu Cu11 1 0.00000000 0.00000000 0.24997200 1.0 O O12 1 0.00000000 0.50000000 0.93585400 1.0 O O13 1 0.00000000 0.50000000 0.43493900 1.0 O O14 1 0.00000000 0.50000000 0.06414600 1.0 O O15 1 0.00000000 0.50000000 0.56506100 1.0 O O16 1 0.00000000 0.00000000 0.82902100 1.0 O O17 1 0.00000000 0.00000000 0.32887900 1.0 O O18 1 0.00000000 0.00000000 0.17097900 1.0 O O19 1 0.00000000 0.00000000 0.67112100 1.0 O O20 1 0.00000000 0.50000000 0.75006200 1.0 O O21 1 0.00000000 0.50000000 0.24993800 1.0 O O22 1 0.50000000 0.00000000 0.93633700 1.0 O O23 1 0.50000000 0.00000000 0.43544300 1.0 O O24 1 0.50000000 0.00000000 0.06366300 1.0 O O25 1 0.50000000 0.00000000 0.56455700 1.0