data_[Hf4Ti4C6]
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 [C2/m]
_cell_length_a [10.7322]
_cell_length_b [3.2315]
_cell_length_c [5.4466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ti2C3]
_chemical_formula_sum '[Hf4 Ti4 C6]'
_cell_volume [183.7277]
_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  0.1199  0.5000  0.8680  1.0
  Ti  Ti1  4  0.1419  0.0000  0.3560  1.0
  C  C2  4  0.2499  0.0000  0.7403  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]