# generated using pymatgen data_Ta19(Ni9Mo)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91702117 _cell_length_b 4.91702117 _cell_length_c 27.07050900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998878 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta19(Ni9Mo)2 _chemical_formula_sum 'Ta19 Ni18 Mo2' _cell_volume 566.80184877 _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 Ta Ta0 1 0.66666700 0.33333300 0.32094800 1.0 Ta Ta1 1 0.00000000 0.00000000 0.65431100 1.0 Ta Ta2 1 0.33333300 0.66666700 0.98762900 1.0 Ta Ta3 1 0.66666700 0.33333300 0.01237100 1.0 Ta Ta4 1 0.00000000 0.00000000 0.34568900 1.0 Ta Ta5 1 0.33333300 0.66666700 0.67905200 1.0 Ta Ta6 1 0.66666700 0.33333300 0.21591400 1.0 Ta Ta7 1 0.00000000 0.00000000 0.54905000 1.0 Ta Ta8 1 0.33333300 0.66666700 0.88225400 1.0 Ta Ta9 1 0.66666700 0.33333300 0.11774600 1.0 Ta Ta10 1 0.00000000 0.00000000 0.45095000 1.0 Ta Ta11 1 0.33333300 0.66666700 0.78408600 1.0 Ta Ta12 1 0.33333300 0.66666700 0.16912000 1.0 Ta Ta13 1 0.66666700 0.33333300 0.50276900 1.0 Ta Ta14 1 0.00000000 0.00000000 0.83552400 1.0 Ta Ta15 1 0.00000000 0.00000000 0.16447600 1.0 Ta Ta16 1 0.33333300 0.66666700 0.49723100 1.0 Ta Ta17 1 0.66666700 0.33333300 0.83088000 1.0 Ta Ta18 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni19 1 0.16944100 0.83055900 0.07820500 1.0 Ni Ni20 1 0.50153200 0.49846800 0.41125200 1.0 Ni Ni21 1 0.83483200 0.16516800 0.74446700 1.0 Ni Ni22 1 0.66111800 0.83055900 0.07820500 1.0 Ni Ni23 1 0.99693600 0.49846800 0.41125200 1.0 Ni Ni24 1 0.33033600 0.16516800 0.74446700 1.0 Ni Ni25 1 0.16944100 0.33888200 0.07820500 1.0 Ni Ni26 1 0.50153200 0.00306400 0.41125200 1.0 Ni Ni27 1 0.83483200 0.66966400 0.74446700 1.0 Ni Ni28 1 0.16516800 0.83483200 0.25553300 1.0 Ni Ni29 1 0.49846800 0.50153200 0.58874800 1.0 Ni Ni30 1 0.83055900 0.16944100 0.92179500 1.0 Ni Ni31 1 0.66966400 0.83483200 0.25553300 1.0 Ni Ni32 1 0.00306400 0.50153200 0.58874800 1.0 Ni Ni33 1 0.33888200 0.16944100 0.92179500 1.0 Ni Ni34 1 0.16516800 0.33033600 0.25553300 1.0 Ni Ni35 1 0.49846800 0.99693600 0.58874800 1.0 Ni Ni36 1 0.83055900 0.66111800 0.92179500 1.0 Mo Mo37 1 0.33333300 0.66666700 0.33338400 1.0 Mo Mo38 1 0.66666700 0.33333300 0.66661600 1.0