data_[In8H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.5094]
_cell_length_b [8.5094]
_cell_length_c [19.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In2H3]
_chemical_formula_sum '[In8 H12]'
_cell_volume [1207.5828]
_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
[
  In  In0  6  0.2002  0.4059  0.4702  1
  In  In1  2  0.3333  0.6667  0.3456  1
  H  H2  6  0.2491  0.7429  0.5610  1
  H  H3  3  0.0000  0.8633  0.4960  1
  H  H4  2  0.3333  0.6667  0.5666  1
  H  H5  1  0.0000  0.0000  0.5007  1
]