data_[Hf1V1H2C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1716]
_cell_length_b [3.1716]
_cell_length_c [5.0603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfVH2C]
_chemical_formula_sum '[Hf1 V1 H2 C1]'
_cell_volume [44.0831]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.7747  1
  V  V1  1  0.3333  0.6667  0.2329  1
  H  H2  1  0.3333  0.6667  0.5945  1
  H  H3  1  0.6667  0.3333  0.3702  1
  C  C4  1  0.0000  0.0000  0.0277  1
]