data_[Hf4Nb2C6]
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 [Immm]
_cell_length_a [3.2560]
_cell_length_b [4.6054]
_cell_length_c [9.7446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf2NbC3]
_chemical_formula_sum '[Hf4 Nb2 C6]'
_cell_volume [146.1221]
_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  0.0000  0.5000  0.3329  1.0
  Nb  Nb1  2  0.0000  0.5000  0.0000  1.0
  C  C2  4  0.0000  0.0000  0.3358  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]