data_[Ti8Cr4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5269]
_cell_length_b [4.3697]
_cell_length_c [5.8835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2CrC2]
_chemical_formula_sum '[Ti8 Cr4 C8]'
_cell_volume [224.6689]
_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  4  0.0177  0.0000  0.7574  1
  Ti  Ti1  4  0.1712  0.5000  0.5927  1
  Cr  Cr2  4  0.1466  0.5000  0.1028  1
  C  C3  4  0.0058  0.5000  0.7604  1
  C  C4  4  0.1710  0.0000  0.5899  1
]