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 [P2_1/m]
_cell_length_a [7.1484]
_cell_length_b [3.0691]
_cell_length_c [7.1605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti3CdC]
_chemical_formula_sum '[Ti6 Cd2 C2]'
_cell_volume [156.5964]
_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  0.1688  0.7500  0.0924  1.0
  Ti  Ti1  2  0.3457  0.2500  0.4191  1.0
  Ti  Ti2  2  0.4286  0.2500  0.8395  1.0
  Cd  Cd3  2  0.0886  0.7500  0.6734  1.0
  C  C4  2  0.3683  0.2500  0.1277  1.0
]