data_[In3Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9071]
_cell_length_b [19.6329]
_cell_length_c [9.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In3Br4]
_chemical_formula_sum '[In3 Br4]'
_cell_volume [727.6826]
_cell_formula_units_Z [1]
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  0.5000  0.3820  0.5933  1
  In  In1  1  0.0000  0.5000  0.1723  1
  Br  Br2  2  0.5000  0.3961  0.2871  1
  Br  Br3  1  0.0000  0.5000  0.5921  1
  Br  Br4  1  0.5000  0.5000  0.9501  1
]