data_[Hf8Nb4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.5813]
_cell_length_b [9.8307]
_cell_length_c [5.5752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2NbC2]
_chemical_formula_sum '[Hf8 Nb4 C8]'
_cell_volume [290.5133]
_cell_formula_units_Z [4]
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  0.0000  0.2522  0.2500  1
  Hf  Hf1  4  0.0000  0.4254  0.7500  1
  Nb  Nb2  4  0.0000  0.0616  0.7500  1
  C  C3  8  0.2462  0.0841  0.5012  1
]