data_[Rb6Re2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [9.8860]
_cell_length_b [9.8860]
_cell_length_c [9.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Rb3ReCl8]
_chemical_formula_sum '[Rb6 Re2 Cl16]'
_cell_volume [773.5617]
_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
[
  Rb  Rb0  6  0.1526  0.3051  0.6999  1
  Re  Re1  2  0.3333  0.6667  0.1501  1
  Cl  Cl2  6  0.1109  0.5554  0.0038  1
  Cl  Cl3  6  0.2217  0.4433  0.3002  1
  Cl  Cl4  2  0.0000  0.0000  0.4572  1
  Cl  Cl5  2  0.3333  0.6667  0.6541  1
]