data_[Hf8Sb10H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6421]
_cell_length_b [3.2258]
_cell_length_c [8.6660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4Sb5H2]
_chemical_formula_sum '[Hf8 Sb10 H4]'
_cell_volume [461.9174]
_cell_formula_units_Z [2]
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  0.0058  0.0000  0.3003  1
  Hf  Hf1  4  0.1554  0.5000  0.5725  1
  Sb  Sb2  4  0.1637  0.0000  0.8725  1
  Sb  Sb3  4  0.1771  0.0000  0.2911  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  H  H5  4  0.0396  0.5000  0.6086  1
]