data_[Ta16Nb8Fe12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2539]
_cell_length_b [5.3354]
_cell_length_c [13.5958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Nb2(FeC)3]
_chemical_formula_sum '[Ta16 Nb8 Fe12 C12]'
_cell_volume [653.1467]
_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  8  0.1138  0.0863  0.0916  1
  Ta  Ta1  8  0.2207  0.0832  0.4084  1
  Nb  Nb2  8  0.0460  0.4169  0.8917  1
  Fe  Fe3  8  0.2449  0.3394  0.2497  1
  Fe  Fe4  4  0.0000  0.0765  0.2500  1
  C  C5  8  0.0812  0.2566  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]