# generated using pymatgen data_Ba4Nd2Cu6O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66339587 _cell_length_b 12.63692518 _cell_length_c 5.57537332 _cell_angle_alpha 77.53485070 _cell_angle_beta 77.00416664 _cell_angle_gamma 25.46098266 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Nd2Cu6O13 _chemical_formula_sum 'Ba4 Nd2 Cu6 O13' _cell_volume 373.55751596 _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 0.16250600 0.64838700 0.83749400 1.0 Ba Ba1 1 0.64838700 0.16250600 0.35161300 1.0 Ba Ba2 1 0.83749400 0.35161300 0.16250600 1.0 Ba Ba3 1 0.35161300 0.83749400 0.64838700 1.0 Nd Nd4 1 0.00000000 0.50000000 0.00000000 1.0 Nd Nd5 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu6 1 0.57394600 0.07088400 0.92911600 1.0 Cu Cu7 1 0.07088400 0.57394600 0.42605400 1.0 Cu Cu8 1 0.42605400 0.92911600 0.07088400 1.0 Cu Cu9 1 0.92911600 0.42605400 0.57394600 1.0 Cu Cu10 1 0.26148800 0.73851200 0.26148800 1.0 Cu Cu11 1 0.73851200 0.26148800 0.73851200 1.0 O O12 1 0.69655600 0.15257800 0.84742200 1.0 O O13 1 0.15257800 0.69655600 0.30344400 1.0 O O14 1 0.30344400 0.84742200 0.15257800 1.0 O O15 1 0.84742200 0.30344400 0.69655600 1.0 O O16 1 0.31342800 0.31342800 0.18657200 1.0 O O17 1 0.81342800 0.81342800 0.68657200 1.0 O O18 1 0.31530700 0.31530700 0.68469300 1.0 O O19 1 0.81358500 0.81358500 0.18641500 1.0 O O20 1 0.18657200 0.18657200 0.31342800 1.0 O O21 1 0.68657200 0.68657200 0.81342800 1.0 O O22 1 0.18641500 0.18641500 0.81358500 1.0 O O23 1 0.68469300 0.68469300 0.31530700 1.0 O O24 1 0.50000000 0.50000000 0.50000000 1.0