data_[Hf3Nb6V3C12]
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
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1585]
_cell_length_b [3.1585]
_cell_length_c [30.8155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HfNb2VC4]
_chemical_formula_sum '[Hf3 Nb6 V3 C12]'
_cell_volume [266.2403]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9970  1.0
  Nb  Nb1  3  0.0000  0.0000  0.5030  1.0
  Nb  Nb2  3  0.0000  0.0000  0.7513  1.0
  V  V3  3  0.0000  0.0000  0.2483  1.0
  C  C4  3  0.0000  0.0000  0.1268  1.0
  C  C5  3  0.0000  0.0000  0.3752  1.0
  C  C6  3  0.0000  0.0000  0.6197  1.0
  C  C7  3  0.0000  0.0000  0.8786  1.0
]