data_[Ru4Br8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8391]
_cell_length_b [3.6828]
_cell_length_c [9.2824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RuBr2]
_chemical_formula_sum '[Ru4 Br8]'
_cell_volume [332.5559]
_cell_formula_units_Z [4]
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  0.0691  0.0000  0.9533  1
  Br  Br1  4  0.0481  0.5000  0.2888  1
  Br  Br2  4  0.2362  0.5000  0.1663  1
]