data_[Ti8C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1836]
_cell_length_b [3.1006]
_cell_length_c [5.2691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4C3]
_chemical_formula_sum '[Ti8 C6]'
_cell_volume [162.1995]
_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
[
  Ti  Ti0  4  0.1286  0.5000  0.9743  1.0
  Ti  Ti1  4  0.1313  0.0000  0.4595  1.0
  C  C2  4  0.2381  0.5000  0.7338  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]