data_[Hf4Ta8V4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1216]
_cell_length_b [10.9240]
_cell_length_c [11.0899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HfTa2VC4]
_chemical_formula_sum '[Hf4 Ta8 V4 C16]'
_cell_volume [378.1726]
_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  0.1308  0.7500  1
  Ta  Ta1  8  0.0000  0.3673  0.5359  1
  V  V2  4  0.0000  0.1362  0.2500  1
  C  C3  8  0.0000  0.2606  0.1229  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4730  0.7500  1
]