data_[Ta4Ti6Nb2C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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/m]
_cell_length_a [5.4087]
_cell_length_b [9.3974]
_cell_length_c [5.3942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ti3NbC6]
_chemical_formula_sum '[Ta4 Ti6 Nb2 C12]'
_cell_volume [258.7564]
_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  4  0.0000  0.3332  0.0000  1.0
  Ti  Ti1  4  0.0000  0.1665  0.5000  1.0
  Ti  Ti2  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  C  C4  8  0.2472  0.6679  0.7451  1.0
  C  C5  4  0.2491  0.5000  0.2552  1.0
]