# generated using pymatgen data_Tb20In40Ni19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.56427000 _cell_length_b 13.56427000 _cell_length_c 9.04889200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20In40Ni19 _chemical_formula_sum 'Tb20 In40 Ni19' _cell_volume 1664.90039645 _cell_formula_units_Z 1 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 Tb Tb0 1 0.70266100 0.79839900 0.26370600 1.0 Tb Tb1 1 0.29733900 0.79839900 0.26370600 1.0 Tb Tb2 1 0.70266100 0.20160100 0.26370600 1.0 Tb Tb3 1 0.29733900 0.20160100 0.26370600 1.0 Tb Tb4 1 0.79839900 0.70266100 0.73629400 1.0 Tb Tb5 1 0.20160100 0.70266100 0.73629400 1.0 Tb Tb6 1 0.79839900 0.29733900 0.73629400 1.0 Tb Tb7 1 0.20160100 0.29733900 0.73629400 1.0 Tb Tb8 1 0.50000000 0.00000000 0.36176900 1.0 Tb Tb9 1 0.00000000 0.50000000 0.63823100 1.0 Tb Tb10 1 0.77646400 0.00000000 0.76718700 1.0 Tb Tb11 1 0.22353600 0.00000000 0.76718700 1.0 Tb Tb12 1 0.50000000 0.72163200 0.76456200 1.0 Tb Tb13 1 0.50000000 0.27836800 0.76456200 1.0 Tb Tb14 1 0.72163200 0.50000000 0.23543800 1.0 Tb Tb15 1 0.27836800 0.50000000 0.23543800 1.0 Tb Tb16 1 0.00000000 0.77646400 0.23281300 1.0 Tb Tb17 1 0.00000000 0.22353600 0.23281300 1.0 Tb Tb18 1 0.50000000 0.00000000 0.83955600 1.0 Tb Tb19 1 0.00000000 0.50000000 0.16044400 1.0 In In20 1 0.15355800 0.15355800 0.00000000 1.0 In In21 1 0.84644200 0.15355800 0.00000000 1.0 In In22 1 0.15355800 0.84644200 0.00000000 1.0 In In23 1 0.84644200 0.84644200 0.00000000 1.0 In In24 1 0.34754000 0.34754000 0.00000000 1.0 In In25 1 0.65246000 0.34754000 0.00000000 1.0 In In26 1 0.34754000 0.65246000 0.00000000 1.0 In In27 1 0.65246000 0.65246000 0.00000000 1.0 In In28 1 0.11646400 0.00000000 0.23434100 1.0 In In29 1 0.88353600 0.00000000 0.23434100 1.0 In In30 1 0.50000000 0.38386400 0.23802800 1.0 In In31 1 0.50000000 0.61613600 0.23802800 1.0 In In32 1 0.38386400 0.50000000 0.76197200 1.0 In In33 1 0.61613600 0.50000000 0.76197200 1.0 In In34 1 0.00000000 0.11646400 0.76565900 1.0 In In35 1 0.00000000 0.88353600 0.76565900 1.0 In In36 1 0.33296700 0.00000000 0.09336800 1.0 In In37 1 0.66703300 0.00000000 0.09336800 1.0 In In38 1 0.50000000 0.16714500 0.09365200 1.0 In In39 1 0.50000000 0.83285500 0.09365200 1.0 In In40 1 0.16714500 0.50000000 0.90634800 1.0 In In41 1 0.83285500 0.50000000 0.90634800 1.0 In In42 1 0.00000000 0.33296700 0.90663200 1.0 In In43 1 0.00000000 0.66703300 0.90663200 1.0 In In44 1 0.63150400 0.86737800 0.59102100 1.0 In In45 1 0.36849600 0.86737800 0.59102100 1.0 In In46 1 0.63150400 0.13262200 0.59102100 1.0 In In47 1 0.36849600 0.13262200 0.59102100 1.0 In In48 1 0.86737800 0.63150400 0.40897900 1.0 In In49 1 0.13262200 0.63150400 0.40897900 1.0 In In50 1 0.86737800 0.36849600 0.40897900 1.0 In In51 1 0.13262200 0.36849600 0.40897900 1.0 In In52 1 0.63714400 0.63714400 0.50000000 1.0 In In53 1 0.36285600 0.63714400 0.50000000 1.0 In In54 1 0.63714400 0.36285600 0.50000000 1.0 In In55 1 0.36285600 0.36285600 0.50000000 1.0 In In56 1 0.86854200 0.86854200 0.50000000 1.0 In In57 1 0.13145800 0.86854200 0.50000000 1.0 In In58 1 0.86854200 0.13145800 0.50000000 1.0 In In59 1 0.13145800 0.13145800 0.50000000 1.0 Ni Ni60 1 0.27586100 0.00000000 0.41277800 1.0 Ni Ni61 1 0.72413900 0.00000000 0.41277800 1.0 Ni Ni62 1 0.50000000 0.22129400 0.40898800 1.0 Ni Ni63 1 0.50000000 0.77870600 0.40898800 1.0 Ni Ni64 1 0.22129400 0.50000000 0.59101200 1.0 Ni Ni65 1 0.77870600 0.50000000 0.59101200 1.0 Ni Ni66 1 0.00000000 0.27586100 0.58722200 1.0 Ni Ni67 1 0.00000000 0.72413900 0.58722200 1.0 Ni Ni68 1 0.84390200 0.65606300 0.09877500 1.0 Ni Ni69 1 0.15609800 0.65606300 0.09877500 1.0 Ni Ni70 1 0.84390200 0.34393700 0.09877500 1.0 Ni Ni71 1 0.15609800 0.34393700 0.09877500 1.0 Ni Ni72 1 0.65606300 0.84390200 0.90122500 1.0 Ni Ni73 1 0.34393700 0.84390200 0.90122500 1.0 Ni Ni74 1 0.65606300 0.15609800 0.90122500 1.0 Ni Ni75 1 0.34393700 0.15609800 0.90122500 1.0 Ni Ni76 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni77 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni78 1 0.50000000 0.50000000 0.50000000 1.0