data_[Ti8Nb4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4459]
_cell_length_b [8.3856]
_cell_length_c [4.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2NbC2]
_chemical_formula_sum '[Ti8 Nb4 C8]'
_cell_volume [250.3450]
_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
[
  Ti  Ti0  8  0.1761  0.1069  0.0129  1
  Nb  Nb1  4  0.0000  0.3597  0.2500  1
  C  C2  4  0.0000  0.1036  0.2500  1
  C  C3  4  0.0000  0.3369  0.7500  1
]