data_[Cs6Re2Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.3105]
_cell_length_b [10.3105]
_cell_length_c [9.3574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Cs3ReCl8]
_chemical_formula_sum '[Cs6 Re2 Cl16]'
_cell_volume [861.4755]
_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  6  0.1532  0.3064  0.7010  1
  Re  Re1  2  0.3333  0.6667  0.1517  1
  Cl  Cl2  6  0.1196  0.5598  0.0079  1
  Cl  Cl3  6  0.2266  0.4532  0.2981  1
  Cl  Cl4  2  0.0000  0.0000  0.4553  1
  Cl  Cl5  2  0.3333  0.6667  0.6448  1
]