# generated using pymatgen data_TmNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40655900 _cell_length_b 14.53575100 _cell_length_c 16.05787400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmNiSn2 _chemical_formula_sum 'Tm12 Ni12 Sn24' _cell_volume 1028.54929299 _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 Tm Tm0 1 0.25000000 0.97359700 0.34821000 1.0 Tm Tm1 1 0.25000000 0.52640300 0.84821000 1.0 Tm Tm2 1 0.75000000 0.02640300 0.65179000 1.0 Tm Tm3 1 0.75000000 0.47359700 0.15179000 1.0 Tm Tm4 1 0.25000000 0.27486900 0.87396400 1.0 Tm Tm5 1 0.25000000 0.22513100 0.37396400 1.0 Tm Tm6 1 0.75000000 0.72513100 0.12603600 1.0 Tm Tm7 1 0.75000000 0.77486900 0.62603600 1.0 Tm Tm8 1 0.25000000 0.39831600 0.64631800 1.0 Tm Tm9 1 0.25000000 0.10168400 0.14631800 1.0 Tm Tm10 1 0.75000000 0.60168400 0.35368200 1.0 Tm Tm11 1 0.75000000 0.89831600 0.85368200 1.0 Ni Ni12 1 0.25000000 0.60761300 0.05338400 1.0 Ni Ni13 1 0.25000000 0.89238700 0.55338400 1.0 Ni Ni14 1 0.75000000 0.39238700 0.94661600 1.0 Ni Ni15 1 0.75000000 0.10761300 0.44661600 1.0 Ni Ni16 1 0.25000000 0.74461300 0.30758500 1.0 Ni Ni17 1 0.25000000 0.75538700 0.80758500 1.0 Ni Ni18 1 0.75000000 0.25538700 0.69241500 1.0 Ni Ni19 1 0.75000000 0.24461300 0.19241500 1.0 Ni Ni20 1 0.25000000 0.04568700 0.79975900 1.0 Ni Ni21 1 0.25000000 0.45431300 0.29975900 1.0 Ni Ni22 1 0.75000000 0.95431300 0.20024100 1.0 Ni Ni23 1 0.75000000 0.54568700 0.70024100 1.0 Sn Sn24 1 0.25000000 0.17743000 0.68332700 1.0 Sn Sn25 1 0.25000000 0.32257000 0.18332700 1.0 Sn Sn26 1 0.75000000 0.82257000 0.31667300 1.0 Sn Sn27 1 0.75000000 0.67743000 0.81667300 1.0 Sn Sn28 1 0.25000000 0.05298900 0.95745700 1.0 Sn Sn29 1 0.25000000 0.44701100 0.45745700 1.0 Sn Sn30 1 0.75000000 0.94701100 0.04254300 1.0 Sn Sn31 1 0.75000000 0.55298900 0.54254300 1.0 Sn Sn32 1 0.25000000 0.07742500 0.52024200 1.0 Sn Sn33 1 0.25000000 0.42257500 0.02024200 1.0 Sn Sn34 1 0.75000000 0.92257500 0.47975800 1.0 Sn Sn35 1 0.75000000 0.57742500 0.97975800 1.0 Sn Sn36 1 0.25000000 0.60472800 0.21497000 1.0 Sn Sn37 1 0.25000000 0.89527200 0.71497000 1.0 Sn Sn38 1 0.75000000 0.39527200 0.78503000 1.0 Sn Sn39 1 0.75000000 0.10472800 0.28503000 1.0 Sn Sn40 1 0.25000000 0.73448400 0.46929100 1.0 Sn Sn41 1 0.25000000 0.76551600 0.96929100 1.0 Sn Sn42 1 0.75000000 0.26551600 0.53070900 1.0 Sn Sn43 1 0.75000000 0.23448400 0.03070900 1.0 Sn Sn44 1 0.25000000 0.86782600 0.17528500 1.0 Sn Sn45 1 0.25000000 0.63217400 0.67528500 1.0 Sn Sn46 1 0.75000000 0.13217400 0.82471500 1.0 Sn Sn47 1 0.75000000 0.36782600 0.32471500 1.0