# generated using pymatgen data_Ni4Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21378300 _cell_length_b 7.06609800 _cell_length_c 24.57819798 _cell_angle_alpha 89.90060383 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4Sn3 _chemical_formula_sum 'Ni32 Sn24' _cell_volume 905.48652725 _cell_formula_units_Z 8 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 Ni Ni0 1 0.24738100 0.74239600 0.20831600 1.0 Ni Ni1 1 0.24511500 0.73875000 0.54134400 1.0 Ni Ni2 1 0.24545300 0.73971900 0.87487200 1.0 Ni Ni3 1 0.75156500 0.24255200 0.29194000 1.0 Ni Ni4 1 0.75212800 0.23357900 0.62524300 1.0 Ni Ni5 1 0.75257200 0.23302500 0.95913500 1.0 Ni Ni6 1 0.74574500 0.26104900 0.12659700 1.0 Ni Ni7 1 0.74437900 0.26082400 0.45622700 1.0 Ni Ni8 1 0.74326100 0.26473200 0.79143800 1.0 Ni Ni9 1 0.25198400 0.75835300 0.04159100 1.0 Ni Ni10 1 0.25304000 0.75938900 0.37514300 1.0 Ni Ni11 1 0.25253600 0.75958200 0.70824100 1.0 Ni Ni12 1 0.25425500 0.26104900 0.12659700 1.0 Ni Ni13 1 0.25562100 0.26082400 0.45622700 1.0 Ni Ni14 1 0.25673900 0.26473200 0.79143800 1.0 Ni Ni15 1 0.74801600 0.75835300 0.04159100 1.0 Ni Ni16 1 0.74696000 0.75938900 0.37514300 1.0 Ni Ni17 1 0.74746400 0.75958200 0.70824100 1.0 Ni Ni18 1 0.75261900 0.74239600 0.20831600 1.0 Ni Ni19 1 0.75488500 0.73875000 0.54134400 1.0 Ni Ni20 1 0.75454700 0.73971900 0.87487200 1.0 Ni Ni21 1 0.24843500 0.24255200 0.29194000 1.0 Ni Ni22 1 0.24787200 0.23357900 0.62524300 1.0 Ni Ni23 1 0.24742800 0.23302500 0.95913500 1.0 Ni Ni24 1 0.00000000 0.90463300 0.62303000 1.0 Ni Ni25 1 0.00000000 0.90433800 0.95700600 1.0 Ni Ni26 1 0.50000000 0.58881100 0.12375800 1.0 Ni Ni27 1 0.50000000 0.58730300 0.45939200 1.0 Ni Ni28 1 0.50000000 0.59041200 0.79134900 1.0 Ni Ni29 1 0.50000000 0.08684000 0.04283900 1.0 Ni Ni30 1 0.50000000 0.08660400 0.37426600 1.0 Ni Ni31 1 0.50000000 0.08681100 0.70873700 1.0 Sn Sn32 1 0.00000000 0.09152700 0.04914100 1.0 Sn Sn33 1 0.00000000 0.08306900 0.37537900 1.0 Sn Sn34 1 0.00000000 0.09201000 0.71459700 1.0 Sn Sn35 1 0.00000000 0.58490100 0.12398100 1.0 Sn Sn36 1 0.00000000 0.58569000 0.45624600 1.0 Sn Sn37 1 0.00000000 0.58838900 0.78985900 1.0 Sn Sn38 1 0.50000000 0.90175400 0.28643200 1.0 Sn Sn39 1 0.50000000 0.89842000 0.61954500 1.0 Sn Sn40 1 0.50000000 0.89850000 0.95354100 1.0 Sn Sn41 1 0.50000000 0.40611000 0.21358600 1.0 Sn Sn42 1 0.50000000 0.39890500 0.54669500 1.0 Sn Sn43 1 0.50000000 0.40172300 0.88041100 1.0 Sn Sn44 1 0.00000000 0.08506900 0.20874400 1.0 Sn Sn45 1 0.00000000 0.09690400 0.53512800 1.0 Sn Sn46 1 0.00000000 0.09761500 0.86953500 1.0 Sn Sn47 1 0.00000000 0.58368400 0.29253400 1.0 Sn Sn48 1 0.00000000 0.55242900 0.62582800 1.0 Sn Sn49 1 0.00000000 0.55170100 0.95894000 1.0 Sn Sn50 1 0.50000000 0.94088800 0.13655800 1.0 Sn Sn51 1 0.50000000 0.94058900 0.46834800 1.0 Sn Sn52 1 0.50000000 0.94263200 0.80302000 1.0 Sn Sn53 1 0.50000000 0.43738100 0.03093100 1.0 Sn Sn54 1 0.50000000 0.44189200 0.36467500 1.0 Sn Sn55 1 0.50000000 0.43856600 0.69779300 1.0