data_[Ti24Cd8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7699]
_cell_length_b [12.1818]
_cell_length_c [5.2609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3CdC]
_chemical_formula_sum '[Ti24 Cd8 C8]'
_cell_volume [626.0572]
_cell_formula_units_Z [8]
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  0.1143  0.0682  0.0874  1.0
  Ti  Ti1  8  0.1239  0.1871  0.5887  1.0
  Ti  Ti2  8  0.1262  0.3068  0.0619  1.0
  Cd  Cd3  8  0.1331  0.4385  0.5683  1.0
  C  C4  4  0.0000  0.0635  0.7500  1.0
  C  C5  4  0.0000  0.1960  0.2500  1.0
]