data_[Hf10Ti2C10]
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 [10.2577]
_cell_length_b [4.5938]
_cell_length_c [6.5294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5TiC5]
_chemical_formula_sum '[Hf10 Ti2 C10]'
_cell_volume [291.8157]
_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  0.1692  0.5000  0.8447  1.0
  Hf  Hf1  4  0.1731  0.5000  0.3267  1.0
  Hf  Hf2  2  0.0000  0.0000  0.5000  1.0
  Ti  Ti3  2  0.0000  0.0000  0.0000  1.0
  C  C4  4  0.1647  0.0000  0.3309  1.0
  C  C5  4  0.1652  0.0000  0.8345  1.0
  C  C6  2  0.0000  0.5000  0.0000  1.0
]