data_[Hf16V4Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1572]
_cell_length_b [12.3873]
_cell_length_c [5.5580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4VPb]
_chemical_formula_sum '[Hf16 V4 Pb4]'
_cell_volume [527.7787]
_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  0.1061  0.1788  0.0622  1.0
  Hf  Hf1  8  0.2226  0.4148  0.3614  1.0
  V  V2  4  0.0000  0.0004  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3827  0.7500  1.0
]