data_[In4Si4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5383]
_cell_length_b [3.7281]
_cell_length_c [11.2166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [InSiH]
_chemical_formula_sum '[In4 Si4 H4]'
_cell_volume [273.3973]
_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  4  0.1670  0.4147  0.2294  1
  Si  Si1  4  0.1651  0.4140  0.9553  1
  H  H2  4  0.0019  0.9409  0.5337  1
]