# generated using pymatgen
data_TaNb3Ni2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26735028
_cell_length_b   8.26735086
_cell_length_c   8.26735083
_cell_angle_alpha   60.00000408
_cell_angle_beta   60.00000178
_cell_angle_gamma   60.00000349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb3Ni2C
_chemical_formula_sum   'Ta4 Nb12 Ni8 C4'
_cell_volume   399.56193536
_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  0.12500000  0.62500000  0.62500000  1.0
  Ta  Ta1  1  0.62500000  0.12500000  0.62500000  1.0
  Ta  Ta2  1  0.62500000  0.62500000  0.12500000  1.0
  Ta  Ta3  1  0.62500000  0.62500000  0.62500000  1.0
  Nb  Nb4  1  0.81583957  0.81583957  0.18416043  1.0
  Nb  Nb5  1  0.18416043  0.18416043  0.81583957  1.0
  Nb  Nb6  1  0.81583957  0.18416043  0.81583957  1.0
  Nb  Nb7  1  0.18416043  0.81583957  0.18416043  1.0
  Nb  Nb8  1  0.18416043  0.81583957  0.81583957  1.0
  Nb  Nb9  1  0.81583957  0.18416043  0.18416043  1.0
  Nb  Nb10  1  0.43416043  0.43416043  0.06583957  1.0
  Nb  Nb11  1  0.06583957  0.06583957  0.43416043  1.0
  Nb  Nb12  1  0.43416043  0.06583957  0.43416043  1.0
  Nb  Nb13  1  0.06583957  0.43416043  0.06583957  1.0
  Nb  Nb14  1  0.06583957  0.43416043  0.43416043  1.0
  Nb  Nb15  1  0.43416043  0.06583957  0.06583957  1.0
  Ni  Ni16  1  0.73486310  0.42171263  0.42171263  1.0
  Ni  Ni17  1  0.42171263  0.73486310  0.42171263  1.0
  Ni  Ni18  1  0.42171263  0.42171263  0.73486310  1.0
  Ni  Ni19  1  0.42171263  0.42171263  0.42171263  1.0
  Ni  Ni20  1  0.51513690  0.82828737  0.82828737  1.0
  Ni  Ni21  1  0.82828737  0.51513690  0.82828737  1.0
  Ni  Ni22  1  0.82828737  0.82828737  0.51513690  1.0
  Ni  Ni23  1  0.82828737  0.82828737  0.82828737  1.0
  C  C24  1  0.62500000  0.12500000  0.12500000  1.0
  C  C25  1  0.12500000  0.62500000  0.12500000  1.0
  C  C26  1  0.12500000  0.12500000  0.62500000  1.0
  C  C27  1  0.12500000  0.12500000  0.12500000  1.0