data_[In6H4Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8729]
_cell_length_b [4.5568]
_cell_length_c [13.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3(HBr)2]
_chemical_formula_sum '[In6 H4 Br4]'
_cell_volume [350.5329]
_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  0.1020  0.5000  0.6278  1
  In  In1  2  0.0000  0.5000  0.0000  1
  H  H2  4  0.2159  0.0000  0.0352  1
  Br  Br3  4  0.2361  0.5000  0.2202  1
]