data_[Ru4Br6Cl6]
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 [Amm2]
_cell_length_a [5.7912]
_cell_length_b [11.5737]
_cell_length_c [6.6821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ru2(BrCl)3]
_chemical_formula_sum '[Ru4 Br6 Cl6]'
_cell_volume [447.8730]
_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  4  0.2492  0.0000  0.0041  1
  Br  Br1  4  0.5000  0.1529  0.8547  1
  Br  Br2  2  0.0000  0.0000  0.6993  1
  Cl  Cl3  4  0.0000  0.1411  0.1478  1
  Cl  Cl4  2  0.5000  0.0000  0.2874  1
]