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 [Pmn2_1]
_cell_length_a [3.1025]
_cell_length_b [10.4416]
_cell_length_c [4.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ti3CdC]
_chemical_formula_sum '[Ti6 Cd2 C2]'
_cell_volume [158.3463]
_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  2  0.0000  0.2954  0.8004  1.0
  Ti  Ti1  2  0.0000  0.4567  0.2733  1.0
  Ti  Ti2  2  0.0000  0.7780  0.7941  1.0
  Cd  Cd3  2  0.0000  0.9525  0.2844  1.0
  C  C4  2  0.0000  0.6210  0.5320  1.0
]