data_[Hf16Sb12H8]
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/c]
_cell_length_a [13.1226]
_cell_length_b [8.7303]
_cell_length_c [5.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Sb3H2]
_chemical_formula_sum '[Hf16 Sb12 H8]'
_cell_volume [655.4604]
_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  0.1070  0.2360  0.5611  1
  Hf  Hf1  8  0.2055  0.4362  0.1210  1
  Sb  Sb2  8  0.1100  0.1252  0.0697  1
  Sb  Sb3  4  0.0000  0.4967  0.7500  1
  H  H4  8  0.2303  0.3606  0.4534  1
]