# generated using pymatgen data_Ta3Nb6(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47392551 _cell_length_b 11.45020978 _cell_length_c 3.48046861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.98865717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Nb6(NiP2)2 _chemical_formula_sum 'Ta6 Nb12 Ni4 P8' _cell_volume 457.25996849 _cell_formula_units_Z 2 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 0.68480213 0.60311834 0.50000000 1.0 Ta Ta1 1 0.31519787 0.39688166 0.50000000 1.0 Ta Ta2 1 0.10142730 0.39899343 0.00000000 1.0 Ta Ta3 1 0.39884757 0.89851319 0.00000000 1.0 Ta Ta4 1 0.60115243 0.10148681 0.00000000 1.0 Ta Ta5 1 0.89857270 0.60100657 0.00000000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb7 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb8 1 0.10194202 0.18505998 0.50000000 1.0 Nb Nb9 1 0.18452687 0.89797410 0.50000000 1.0 Nb Nb10 1 0.81547313 0.10202590 0.50000000 1.0 Nb Nb11 1 0.89805798 0.81494002 0.50000000 1.0 Nb Nb12 1 0.39830435 0.68453963 0.50000000 1.0 Nb Nb13 1 0.60169565 0.31546037 0.50000000 1.0 Nb Nb14 1 0.39340248 0.10713972 0.50000000 1.0 Nb Nb15 1 0.10727653 0.60622728 0.50000000 1.0 Nb Nb16 1 0.89272347 0.39377272 0.50000000 1.0 Nb Nb17 1 0.60659752 0.89286028 0.50000000 1.0 Ni Ni18 1 0.26418076 0.23716909 0.00000000 1.0 Ni Ni19 1 0.23643425 0.73561876 0.00000000 1.0 Ni Ni20 1 0.76356575 0.26438124 0.00000000 1.0 Ni Ni21 1 0.73581924 0.76283091 0.00000000 1.0 P P22 1 0.22689366 0.05409526 0.00000000 1.0 P P23 1 0.05396964 0.77293994 0.00000000 1.0 P P24 1 0.94603036 0.22706006 0.00000000 1.0 P P25 1 0.77310634 0.94590474 0.00000000 1.0 P P26 1 0.27376082 0.55267615 0.00000000 1.0 P P27 1 0.72623918 0.44732385 0.00000000 1.0 P P28 1 0.55386502 0.72605769 0.00000000 1.0 P P29 1 0.44613498 0.27394231 0.00000000 1.0