# generated using pymatgen data_Nd2Nb3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75617062 _cell_length_b 9.32892547 _cell_length_c 9.32892527 _cell_angle_alpha 119.99999931 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Nb3Ni9P7 _chemical_formula_sum 'Nd2 Nb3 Ni9 P7' _cell_volume 283.09955274 _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 Nd Nd0 1 0.00000000 0.66666700 0.33333300 1.0 Nd Nd1 1 0.50000000 0.33333300 0.66666700 1.0 Nb Nb2 1 0.50000000 0.77680169 0.89270188 1.0 Nb Nb3 1 0.50000000 0.11590019 0.22319831 1.0 Nb Nb4 1 0.50000000 0.10729812 0.88409981 1.0 Ni Ni5 1 0.00000000 0.57076525 0.93720102 1.0 Ni Ni6 1 0.00000000 0.36643477 0.42923475 1.0 Ni Ni7 1 0.00000000 0.06279898 0.63356523 1.0 Ni Ni8 1 0.00000000 0.86985119 0.15270547 1.0 Ni Ni9 1 0.00000000 0.28285528 0.13014881 1.0 Ni Ni10 1 0.00000000 0.84729453 0.71714472 1.0 Ni Ni11 1 0.50000000 0.94382020 0.38584862 1.0 Ni Ni12 1 0.50000000 0.44202842 0.05617980 1.0 Ni Ni13 1 0.50000000 0.61415138 0.55797158 1.0 P P14 1 0.50000000 0.70871670 0.11395041 1.0 P P15 1 0.50000000 0.40523571 0.29128330 1.0 P P16 1 0.50000000 0.88604959 0.59476429 1.0 P P17 1 0.00000000 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.58843869 0.69067758 1.0 P P19 1 0.00000000 0.10223889 0.41156131 1.0 P P20 1 0.00000000 0.30932242 0.89776111 1.0