data_[In6H2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.7666]
_cell_length_b [10.6185]
_cell_length_c [5.8771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In3HCl4]
_chemical_formula_sum '[In6 H2 Cl8]'
_cell_volume [547.0915]
_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
[
  In  In0  4  0.2147  0.6467  0.5039  1
  In  In1  2  0.0000  0.0954  0.5086  1
  H  H2  2  0.0000  0.6686  0.5556  1
  Cl  Cl3  4  0.2434  0.6008  0.0571  1
  Cl  Cl4  2  0.0000  0.2724  0.0627  1
  Cl  Cl5  2  0.0000  0.9030  0.2360  1
]