data_[Cs1Na2Ru1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1572]
_cell_length_b [9.8726]
_cell_length_c [6.8659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNa2RuBr8]
_chemical_formula_sum '[Cs1 Na2 Ru1 Br8]'
_cell_volume [416.9257]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1.0
  Na  Na1  2  0.5000  0.2243  0.5000  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2382  0.1810  0.8675  1.0
  Br  Br4  2  0.2274  0.0000  0.3170  1.0
  Br  Br5  2  0.2518  0.5000  0.4983  1.0
]