# generated using pymatgen data_LuNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40883200 _cell_length_b 14.42335700 _cell_length_c 16.08583500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuNiSn2 _chemical_formula_sum 'Lu12 Ni12 Sn24' _cell_volume 1022.90078743 _cell_formula_units_Z 12 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 Lu Lu0 1 0.25000000 0.40142600 0.64841300 1.0 Lu Lu1 1 0.75000000 0.59857400 0.35158700 1.0 Lu Lu2 1 0.75000000 0.90142600 0.85158700 1.0 Lu Lu3 1 0.25000000 0.09857400 0.14841300 1.0 Lu Lu4 1 0.25000000 0.27815900 0.87090100 1.0 Lu Lu5 1 0.75000000 0.72184100 0.12909900 1.0 Lu Lu6 1 0.75000000 0.77815900 0.62909900 1.0 Lu Lu7 1 0.25000000 0.22184100 0.37090100 1.0 Lu Lu8 1 0.25000000 0.96962000 0.34931400 1.0 Lu Lu9 1 0.75000000 0.03038000 0.65068600 1.0 Lu Lu10 1 0.75000000 0.46962000 0.15068600 1.0 Lu Lu11 1 0.25000000 0.53038000 0.84931400 1.0 Ni Ni12 1 0.75000000 0.23898100 0.18856900 1.0 Ni Ni13 1 0.25000000 0.04992600 0.80028200 1.0 Ni Ni14 1 0.75000000 0.95007400 0.19971800 1.0 Ni Ni15 1 0.75000000 0.54992600 0.69971800 1.0 Ni Ni16 1 0.25000000 0.45007400 0.30028200 1.0 Ni Ni17 1 0.25000000 0.73898100 0.31143100 1.0 Ni Ni18 1 0.75000000 0.26101900 0.68856900 1.0 Ni Ni19 1 0.25000000 0.76101900 0.81143100 1.0 Ni Ni20 1 0.25000000 0.60701700 0.05381500 1.0 Ni Ni21 1 0.75000000 0.39298300 0.94618500 1.0 Ni Ni22 1 0.75000000 0.10701700 0.44618500 1.0 Ni Ni23 1 0.25000000 0.89298300 0.55381500 1.0 Sn Sn24 1 0.25000000 0.89929300 0.71505100 1.0 Sn Sn25 1 0.75000000 0.10070700 0.28494900 1.0 Sn Sn26 1 0.75000000 0.39929300 0.78494900 1.0 Sn Sn27 1 0.25000000 0.60070700 0.21505100 1.0 Sn Sn28 1 0.25000000 0.76687800 0.97242500 1.0 Sn Sn29 1 0.25000000 0.86367500 0.17636000 1.0 Sn Sn30 1 0.75000000 0.23312200 0.02757500 1.0 Sn Sn31 1 0.75000000 0.26687800 0.52757500 1.0 Sn Sn32 1 0.25000000 0.73312200 0.47242500 1.0 Sn Sn33 1 0.25000000 0.63632500 0.67636000 1.0 Sn Sn34 1 0.75000000 0.36367500 0.32364000 1.0 Sn Sn35 1 0.75000000 0.13632500 0.82364000 1.0 Sn Sn36 1 0.25000000 0.31958300 0.18211500 1.0 Sn Sn37 1 0.75000000 0.68041700 0.81788500 1.0 Sn Sn38 1 0.75000000 0.81958300 0.31788500 1.0 Sn Sn39 1 0.25000000 0.18041700 0.68211500 1.0 Sn Sn40 1 0.25000000 0.44349000 0.45852900 1.0 Sn Sn41 1 0.75000000 0.55651000 0.54147100 1.0 Sn Sn42 1 0.75000000 0.94349000 0.04147100 1.0 Sn Sn43 1 0.25000000 0.05651000 0.95852900 1.0 Sn Sn44 1 0.25000000 0.42172100 0.02030000 1.0 Sn Sn45 1 0.75000000 0.57827900 0.97970000 1.0 Sn Sn46 1 0.75000000 0.92172100 0.47970000 1.0 Sn Sn47 1 0.25000000 0.07827900 0.52030000 1.0