data_[Ru2Br2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9091]
_cell_length_b [5.5445]
_cell_length_c [9.8371]
_cell_angle_alpha [105.3953]
_cell_angle_beta [90.1863]
_cell_angle_gamma [90.0017]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RuBrF4]
_chemical_formula_sum '[Ru2 Br2 F8]'
_cell_volume [258.1419]
_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  1  0.4780  0.4962  0.9991  1
  Ru  Ru1  1  0.9780  0.9972  0.0010  1
  Br  Br2  1  0.1076  0.7511  0.4627  1
  Br  Br3  1  0.6079  0.7818  0.5370  1
  F  F4  1  0.1119  0.8692  0.8183  1
  F  F5  1  0.1420  0.7047  0.0590  1
  F  F6  1  0.3156  0.2052  0.0590  1
  F  F7  1  0.3429  0.3687  0.8163  1
  F  F8  1  0.6147  0.6240  0.1817  1
  F  F9  1  0.6411  0.7888  0.9411  1
  F  F10  1  0.8149  0.2883  0.9410  1
  F  F11  1  0.8454  0.1247  0.1838  1
]