# generated using pymatgen data_Nd2Zr2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55645136 _cell_length_b 7.55645136 _cell_length_c 7.55645136 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Zr2O7 _chemical_formula_sum 'Nd4 Zr4 O14' _cell_volume 305.09751906 _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 0.12500000 0.12500000 0.12500000 1.0 Nd Nd1 1 0.12500000 0.62500000 0.12500000 1.0 Nd Nd2 1 0.62500000 0.12500000 0.12500000 1.0 Nd Nd3 1 0.12500000 0.12500000 0.62500000 1.0 Zr Zr4 1 0.12500000 0.62500000 0.62500000 1.0 Zr Zr5 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr6 1 0.62500000 0.62500000 0.12500000 1.0 Zr Zr7 1 0.62500000 0.12500000 0.62500000 1.0 O O8 1 0.25636200 0.74363800 0.25636200 1.0 O O9 1 0.99363800 0.99363800 0.50636200 1.0 O O10 1 0.50636200 0.99363800 0.50636200 1.0 O O11 1 0.74363800 0.74363800 0.25636200 1.0 O O12 1 0.99363800 0.50636200 0.50636200 1.0 O O13 1 0.74363800 0.25636200 0.74363800 1.0 O O14 1 0.25636200 0.25636200 0.74363800 1.0 O O15 1 0.74363800 0.25636200 0.25636200 1.0 O O16 1 0.75000000 0.75000000 0.75000000 1.0 O O17 1 0.25636200 0.74363800 0.74363800 1.0 O O18 1 0.50000000 0.50000000 0.50000000 1.0 O O19 1 0.99363800 0.50636200 0.99363800 1.0 O O20 1 0.50636200 0.50636200 0.99363800 1.0 O O21 1 0.50636200 0.99363800 0.99363800 1.0