data_[Hf16V8Zn12C12]
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
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5097]
_cell_length_b [5.4966]
_cell_length_c [13.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4V2(ZnC)3]
_chemical_formula_sum '[Hf16 V8 Zn12 C12]'
_cell_volume [703.6969]
_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  8  0.1169  0.0779  0.0968  1
  Hf  Hf1  8  0.2141  0.0855  0.4032  1
  V  V2  8  0.0613  0.4145  0.9284  1
  Zn  Zn3  8  0.1336  0.4475  0.2485  1
  Zn  Zn4  4  0.0000  0.1512  0.7500  1
  C  C5  8  0.0810  0.2570  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]