data_[Hf6Nb2C8]
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 [Cmmm]
_cell_length_a [6.5182]
_cell_length_b [9.2053]
_cell_length_c [3.2634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf3NbC4]
_chemical_formula_sum '[Hf6 Nb2 C8]'
_cell_volume [195.8102]
_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
  Nb  Nb2  2  0.0000  0.0000  0.5000  1.0
  C  C3  4  0.0000  0.2475  0.5000  1.0
  C  C4  4  0.2458  0.0000  0.0000  1.0
]