# generated using pymatgen data_Ta4Ni2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21906772 _cell_length_b 8.21906750 _cell_length_c 8.21906799 _cell_angle_alpha 60.00200464 _cell_angle_beta 60.00199502 _cell_angle_gamma 60.00200319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4Ni2C _chemical_formula_sum 'Ta16 Ni8 C4' _cell_volume 392.61996754 _cell_formula_units_Z 4 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 0.62500669 0.62500684 0.62500674 1.0 Ta Ta1 1 0.62500657 0.62500684 0.12498005 1.0 Ta Ta2 1 0.12497999 0.62500705 0.62500646 1.0 Ta Ta3 1 0.62500675 0.12497974 0.62500682 1.0 Ta Ta4 1 0.43297147 0.06702793 0.06702806 1.0 Ta Ta5 1 0.06702892 0.43297197 0.43297165 1.0 Ta Ta6 1 0.06702786 0.43297167 0.06702799 1.0 Ta Ta7 1 0.06702805 0.06702791 0.43297141 1.0 Ta Ta8 1 0.43297188 0.06702899 0.43297163 1.0 Ta Ta9 1 0.43297167 0.43297195 0.06702898 1.0 Ta Ta10 1 0.18294832 0.81705224 0.18294833 1.0 Ta Ta11 1 0.81705180 0.18294715 0.81705179 1.0 Ta Ta12 1 0.81705207 0.18294841 0.18294848 1.0 Ta Ta13 1 0.18294832 0.18294851 0.81705207 1.0 Ta Ta14 1 0.18294718 0.81705184 0.81705164 1.0 Ta Ta15 1 0.81705165 0.81705189 0.18294725 1.0 Ni Ni16 1 0.83019092 0.83019178 0.83019040 1.0 Ni Ni17 1 0.83019906 0.83019930 0.50940855 1.0 Ni Ni18 1 0.50940916 0.83019817 0.83020004 1.0 Ni Ni19 1 0.83019955 0.50940826 0.83019940 1.0 Ni Ni20 1 0.41980949 0.41980913 0.41981042 1.0 Ni Ni21 1 0.41980097 0.41980124 0.74058952 1.0 Ni Ni22 1 0.41980190 0.74058992 0.41980090 1.0 Ni Ni23 1 0.74058987 0.41980138 0.41980137 1.0 C C24 1 0.12499972 0.12499969 0.12499984 1.0 C C25 1 0.12499972 0.12499970 0.62500077 1.0 C C26 1 0.62500076 0.12499967 0.12499978 1.0 C C27 1 0.12499969 0.62500084 0.12499968 1.0