data_[In6H6]
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 [Pmna]
_cell_length_a [5.0679]
_cell_length_b [20.6992]
_cell_length_c [5.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [InH]
_chemical_formula_sum '[In6 H6]'
_cell_volume [541.1648]
_cell_formula_units_Z [6]
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  4  0.0000  0.3623  0.0685  1
  In  In1  2  0.0000  0.5000  0.5000  1
  H  H2  4  0.0000  0.4558  0.9168  1
  H  H3  2  0.0000  0.5000  0.0000  1
]