# generated using pymatgen data_Ba4Nd2Cu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.11348000 _cell_length_b 12.11348000 _cell_length_c 3.91816000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Nd2Cu2O9 _chemical_formula_sum 'Ba8 Nd4 Cu4 O18' _cell_volume 574.93668405 _cell_formula_units_Z 2 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 0.82835200 0.88649600 0.26124500 1.0 Ba Ba1 1 0.67164800 0.38649600 0.76124500 1.0 Ba Ba2 1 0.17164800 0.11350400 0.26124500 1.0 Ba Ba3 1 0.88649600 0.17164800 0.73875500 1.0 Ba Ba4 1 0.61350400 0.67164800 0.23875500 1.0 Ba Ba5 1 0.38649600 0.32835200 0.23875500 1.0 Ba Ba6 1 0.11350400 0.82835200 0.73875500 1.0 Ba Ba7 1 0.32835200 0.61350400 0.76124500 1.0 Nd Nd8 1 0.88975300 0.61024700 0.75000000 1.0 Nd Nd9 1 0.11024700 0.38975300 0.75000000 1.0 Nd Nd10 1 0.38975300 0.88975300 0.25000000 1.0 Nd Nd11 1 0.61024700 0.11024700 0.25000000 1.0 Cu Cu12 1 0.09836500 0.59836500 0.25000000 1.0 Cu Cu13 1 0.40163500 0.09836500 0.75000000 1.0 Cu Cu14 1 0.59836500 0.90163500 0.75000000 1.0 Cu Cu15 1 0.90163500 0.40163500 0.25000000 1.0 O O16 1 0.25634300 0.75634300 0.25000000 1.0 O O17 1 0.20919400 0.47692100 0.25075200 1.0 O O18 1 0.02307900 0.29080600 0.24924800 1.0 O O19 1 0.24365700 0.25634300 0.75000000 1.0 O O20 1 0.59283300 0.90716700 0.25000000 1.0 O O21 1 0.09283300 0.59283300 0.75000000 1.0 O O22 1 0.70919400 0.02307900 0.75075200 1.0 O O23 1 0.97692100 0.70919400 0.24924800 1.0 O O24 1 0.75634300 0.74365700 0.75000000 1.0 O O25 1 0.90716700 0.40716700 0.75000000 1.0 O O26 1 0.47692100 0.79080600 0.74924800 1.0 O O27 1 0.29080600 0.97692100 0.75075200 1.0 O O28 1 0.79080600 0.52307900 0.25075200 1.0 O O29 1 0.74365700 0.24365700 0.25000000 1.0 O O30 1 0.50000000 0.50000000 0.00000000 1.0 O O31 1 0.52307900 0.20919400 0.74924800 1.0 O O32 1 0.40716700 0.09283300 0.25000000 1.0 O O33 1 0.00000000 0.00000000 0.50000000 1.0