data_[Hf6Ti2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4761]
_cell_length_b [9.1581]
_cell_length_c [3.2414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf3TiC4]
_chemical_formula_sum '[Hf6 Ti2 C8]'
_cell_volume [192.2448]
_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
[
  Hf  Hf0  4  0.2500  0.2500  0.0000  1.0
  Hf  Hf1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  C  C3  4  0.0000  0.2464  0.5000  1.0
  C  C4  4  0.2428  0.0000  0.0000  1.0
]