# generated using pymatgen data_Nd2NiSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48869485 _cell_length_b 9.01804074 _cell_length_c 17.22178841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2NiSn4 _chemical_formula_sum 'Nd8 Ni4 Sn16' _cell_volume 697.12478549 _cell_formula_units_Z 4 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 0.25000000 0.61258779 0.64590870 1.0 Nd Nd1 1 0.25000000 0.36884653 0.14781041 1.0 Nd Nd2 1 0.25000000 0.88741221 0.14590870 1.0 Nd Nd3 1 0.75000000 0.11258779 0.85409130 1.0 Nd Nd4 1 0.75000000 0.63115347 0.85218959 1.0 Nd Nd5 1 0.25000000 0.13115347 0.64781041 1.0 Nd Nd6 1 0.75000000 0.86884653 0.35218959 1.0 Nd Nd7 1 0.75000000 0.38741221 0.35409130 1.0 Ni Ni8 1 0.75000000 0.35410721 0.56029137 1.0 Ni Ni9 1 0.25000000 0.64589279 0.43970863 1.0 Ni Ni10 1 0.75000000 0.14589279 0.06029137 1.0 Ni Ni11 1 0.25000000 0.85410721 0.93970863 1.0 Sn Sn12 1 0.25000000 0.60888052 0.00759990 1.0 Sn Sn13 1 0.75000000 0.87279952 0.00765893 1.0 Sn Sn14 1 0.75000000 0.62805764 0.18120301 1.0 Sn Sn15 1 0.25000000 0.12805764 0.31879699 1.0 Sn Sn16 1 0.75000000 0.39111948 0.99240010 1.0 Sn Sn17 1 0.75000000 0.37067642 0.70685976 1.0 Sn Sn18 1 0.75000000 0.62720048 0.50765893 1.0 Sn Sn19 1 0.25000000 0.87067642 0.79314024 1.0 Sn Sn20 1 0.75000000 0.10888052 0.49240010 1.0 Sn Sn21 1 0.25000000 0.37194236 0.81879699 1.0 Sn Sn22 1 0.75000000 0.12932358 0.20685976 1.0 Sn Sn23 1 0.25000000 0.37279952 0.49234107 1.0 Sn Sn24 1 0.25000000 0.62932358 0.29314024 1.0 Sn Sn25 1 0.75000000 0.87194236 0.68120301 1.0 Sn Sn26 1 0.25000000 0.89111948 0.50759990 1.0 Sn Sn27 1 0.25000000 0.12720048 0.99234107 1.0