data_[Hf8V8P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9935]
_cell_length_b [3.8214]
_cell_length_c [7.2357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfVP]
_chemical_formula_sum '[Hf8 V8 P8]'
_cell_volume [414.5481]
_cell_formula_units_Z [8]
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  0.0530  0.5000  0.8050  1
  Hf  Hf1  4  0.0939  0.0000  0.3921  1
  V  V2  4  0.2382  0.0000  0.0986  1
  V  V3  4  0.2419  0.0000  0.6884  1
  P  P4  4  0.1225  0.5000  0.1298  1
  P  P5  4  0.1717  0.5000  0.5791  1
]