# generated using pymatgen data_ErNiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41931800 _cell_length_b 14.58259300 _cell_length_c 16.07170200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErNiSn2 _chemical_formula_sum 'Er12 Ni12 Sn24' _cell_volume 1035.74269539 _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 Er Er0 1 0.25000000 0.97306800 0.34934400 1.0 Er Er1 1 0.25000000 0.52693200 0.84934400 1.0 Er Er2 1 0.75000000 0.02693200 0.65065600 1.0 Er Er3 1 0.75000000 0.47306800 0.15065600 1.0 Er Er4 1 0.25000000 0.27585500 0.86915800 1.0 Er Er5 1 0.25000000 0.22414500 0.36915800 1.0 Er Er6 1 0.75000000 0.72414500 0.13084200 1.0 Er Er7 1 0.75000000 0.77585500 0.63084200 1.0 Er Er8 1 0.25000000 0.39713600 0.64525700 1.0 Er Er9 1 0.25000000 0.10286400 0.14525700 1.0 Er Er10 1 0.75000000 0.60286400 0.35474300 1.0 Er Er11 1 0.75000000 0.89713600 0.85474300 1.0 Ni Ni12 1 0.25000000 0.60588200 0.05471700 1.0 Ni Ni13 1 0.25000000 0.89411800 0.55471700 1.0 Ni Ni14 1 0.75000000 0.39411800 0.94528300 1.0 Ni Ni15 1 0.75000000 0.10588200 0.44528300 1.0 Ni Ni16 1 0.25000000 0.74403000 0.30973800 1.0 Ni Ni17 1 0.25000000 0.75597000 0.80973800 1.0 Ni Ni18 1 0.75000000 0.25597000 0.69026200 1.0 Ni Ni19 1 0.75000000 0.24403000 0.19026200 1.0 Ni Ni20 1 0.25000000 0.04854400 0.79948000 1.0 Ni Ni21 1 0.25000000 0.45145600 0.29948000 1.0 Ni Ni22 1 0.75000000 0.95145600 0.20052000 1.0 Ni Ni23 1 0.75000000 0.54854400 0.70052000 1.0 Sn Sn24 1 0.25000000 0.17696100 0.68111200 1.0 Sn Sn25 1 0.25000000 0.32303900 0.18111200 1.0 Sn Sn26 1 0.75000000 0.82303900 0.31888800 1.0 Sn Sn27 1 0.75000000 0.67696100 0.81888800 1.0 Sn Sn28 1 0.25000000 0.05357900 0.95674500 1.0 Sn Sn29 1 0.25000000 0.44642100 0.45674500 1.0 Sn Sn30 1 0.75000000 0.94642100 0.04325500 1.0 Sn Sn31 1 0.75000000 0.55357900 0.54325500 1.0 Sn Sn32 1 0.25000000 0.07862500 0.51829500 1.0 Sn Sn33 1 0.25000000 0.42137500 0.01829500 1.0 Sn Sn34 1 0.75000000 0.92137500 0.48170500 1.0 Sn Sn35 1 0.75000000 0.57862500 0.98170500 1.0 Sn Sn36 1 0.25000000 0.60296800 0.21679600 1.0 Sn Sn37 1 0.25000000 0.89703200 0.71679600 1.0 Sn Sn38 1 0.75000000 0.39703200 0.78320400 1.0 Sn Sn39 1 0.75000000 0.10296800 0.28320400 1.0 Sn Sn40 1 0.25000000 0.73361900 0.47302500 1.0 Sn Sn41 1 0.25000000 0.76638100 0.97302500 1.0 Sn Sn42 1 0.75000000 0.26638100 0.52697500 1.0 Sn Sn43 1 0.75000000 0.23361900 0.02697500 1.0 Sn Sn44 1 0.25000000 0.86760400 0.17627400 1.0 Sn Sn45 1 0.25000000 0.63239600 0.67627400 1.0 Sn Sn46 1 0.75000000 0.13239600 0.82372600 1.0 Sn Sn47 1 0.75000000 0.36760400 0.32372600 1.0