data_[Ru2Br6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5475]
_cell_length_b [8.2638]
_cell_length_c [19.6080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RuBr3Cl]
_chemical_formula_sum '[Ru2 Br6 Cl2]'
_cell_volume [1222.9600]
_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  0.0000  0.0610  0.5000  1
  Br  Br1  4  0.0963  0.0607  0.3825  1
  Br  Br2  2  0.0000  0.7667  0.5000  1
  Cl  Cl3  2  0.0000  0.3376  0.5000  1
]