data_[Ti6Cd2C2]
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 [Pm]
_cell_length_a [5.1183]
_cell_length_b [3.1272]
_cell_length_c [9.9545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti3CdC]
_chemical_formula_sum '[Ti6 Cd2 C2]'
_cell_volume [157.4948]
_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  1  0.1017  0.0000  0.8788  1.0
  Ti  Ti1  1  0.2469  0.0000  0.3715  1.0
  Ti  Ti2  1  0.3021  0.5000  0.1334  1.0
  Ti  Ti3  1  0.6022  0.5000  0.8557  1.0
  Ti  Ti4  1  0.7486  0.5000  0.3482  1.0
  Ti  Ti5  1  0.7911  0.0000  0.0958  1.0
  Cd  Cd6  1  0.1729  0.5000  0.6195  1.0
  Cd  Cd7  1  0.6834  0.0000  0.6086  1.0
  C  C8  1  0.5286  0.0000  0.2416  1.0
  C  C9  1  0.9543  0.5000  0.9875  1.0
]