data_[Ru2I4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.6306]
_cell_length_b [15.5023]
_cell_length_c [8.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RuI2Br5]
_chemical_formula_sum '[Ru2 I4 Br10]'
_cell_volume [683.4937]
_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
[
  Ru  Ru0  2  0.4878  0.5000  0.9922  1
  I  I1  4  0.4957  0.2764  0.4842  1
  Br  Br2  4  0.0548  0.8455  0.9860  1
  Br  Br3  2  0.1236  0.5000  0.0883  1
  Br  Br4  2  0.2556  0.0000  0.2933  1
  Br  Br5  2  0.3084  0.5000  0.6861  1
]