data_[In4Ru2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9543]
_cell_length_b [10.0156]
_cell_length_c [6.7270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2RuBr8]
_chemical_formula_sum '[In4 Ru2 Br16]'
_cell_volume [859.5009]
_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  0.1825  0.0000  0.6296  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0723  0.1772  0.7911  1.0
  Br  Br3  4  0.1249  0.5000  0.2403  1.0
  Br  Br4  4  0.1749  0.0000  0.2380  1.0
]