data_[Cs2Re2H4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9981]
_cell_length_b [7.4028]
_cell_length_c [10.0457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRe(HBr4)2]
_chemical_formula_sum '[Cs2 Re2 H4 Br16]'
_cell_volume [858.9150]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Re  Re1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.2268  0.5000  0.7226  1.0
  Br  Br3  8  0.0100  0.2399  0.1774  1.0
  Br  Br4  4  0.1838  0.5000  0.5688  1.0
  Br  Br5  4  0.2166  0.0000  0.0519  1.0
]