# generated using pymatgen data_Nd4Ni3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52671900 _cell_length_b 5.44562200 _cell_length_c 14.08394375 _cell_angle_alpha 79.49330923 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Ni3O10 _chemical_formula_sum 'Nd8 Ni6 O20' _cell_volume 416.76945120 _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 Nd Nd0 1 0.50718200 0.88850100 0.13694600 1.0 Nd Nd1 1 0.49281800 0.11149900 0.86305400 1.0 Nd Nd2 1 0.98403100 0.30665000 0.39971300 1.0 Nd Nd3 1 0.99281800 0.38850100 0.13694600 1.0 Nd Nd4 1 0.51596900 0.80665000 0.39971300 1.0 Nd Nd5 1 0.01596900 0.69335000 0.60028700 1.0 Nd Nd6 1 0.48403100 0.19335000 0.60028700 1.0 Nd Nd7 1 0.00718200 0.61149900 0.86305400 1.0 Ni Ni8 1 0.00430100 0.85169100 0.28004400 1.0 Ni Ni9 1 0.99569900 0.14830900 0.71995600 1.0 Ni Ni10 1 0.50430100 0.64830900 0.71995600 1.0 Ni Ni11 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni12 1 0.49569900 0.35169100 0.28004400 1.0 Ni Ni13 1 0.00000000 0.00000000 0.00000000 1.0 O O14 1 0.08266200 0.94470600 0.13679500 1.0 O O15 1 0.06150500 0.22992600 0.56459200 1.0 O O16 1 0.43849500 0.72992600 0.56459200 1.0 O O17 1 0.56150500 0.27007400 0.43540800 1.0 O O18 1 0.58266200 0.55529400 0.86320500 1.0 O O19 1 0.41733800 0.44470600 0.13679500 1.0 O O20 1 0.26202000 0.90248100 0.73753500 1.0 O O21 1 0.78721300 0.69287100 0.02542400 1.0 O O22 1 0.71278700 0.19287100 0.02542400 1.0 O O23 1 0.76060100 0.89831600 0.69626500 1.0 O O24 1 0.76202000 0.59751900 0.26246500 1.0 O O25 1 0.23798000 0.40248100 0.73753500 1.0 O O26 1 0.93849500 0.77007400 0.43540800 1.0 O O27 1 0.91733800 0.05529400 0.86320500 1.0 O O28 1 0.23939900 0.10168400 0.30373500 1.0 O O29 1 0.21278700 0.30712900 0.97457600 1.0 O O30 1 0.28721300 0.80712900 0.97457600 1.0 O O31 1 0.26060100 0.60168400 0.30373500 1.0 O O32 1 0.73939900 0.39831600 0.69626500 1.0 O O33 1 0.73798000 0.09751900 0.26246500 1.0