data_[Hf10In10H4]
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/m]
_cell_length_a [10.4800]
_cell_length_b [4.0264]
_cell_length_c [10.7505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5In5H2]
_chemical_formula_sum '[Hf10 In10 H4]'
_cell_volume [453.5953]
_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  0.0893  0.0000  0.6964  1.0
  Hf  Hf1  4  0.1155  0.5000  0.2002  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.1868  0.5000  0.9014  1.0
  In  In4  4  0.2053  0.0000  0.3993  1.0
  In  In5  2  0.0000  0.5000  0.5000  1.0
  H  H6  4  0.0541  0.0000  0.1818  1.0
]