data_[In2As4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7255]
_cell_length_b [9.1581]
_cell_length_c [8.3749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In(AsBr4)2]
_chemical_formula_sum '[In2 As4 Br16]'
_cell_volume [1052.6515]
_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  2  0.0000  0.0000  0.0000  1
  As  As1  4  0.1477  0.0000  0.3600  1
  Br  Br2  8  0.1482  0.2045  0.1663  1
  Br  Br3  4  0.0830  0.0000  0.7049  1
  Br  Br4  4  0.1835  0.5000  0.5761  1
]