data_[Hf16In12H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8567]
_cell_length_b [8.9251]
_cell_length_c [5.7826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4In3H2]
_chemical_formula_sum '[Hf16 In12 H8]'
_cell_volume [648.2958]
_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  0.1260  0.2479  0.0615  1.0
  Hf  Hf1  8  0.1969  0.4091  0.5713  1.0
  In  In2  8  0.0957  0.0982  0.5664  1.0
  In  In3  4  0.0000  0.4959  0.7500  1.0
  H  H4  8  0.2327  0.3708  0.9291  1.0
]