data_[Cs1Rb2Re1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Re  1.9000  1.3500  0.7125
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8646]
_cell_length_b [7.9731]
_cell_length_c [10.4989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsRb2ReI8]
_chemical_formula_sum '[Cs1 Rb2 Re1 I8]'
_cell_volume [553.6030]
_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  0.0000  0.5000  1.0
  Rb  Rb1  2  0.3265  0.5000  0.1820  1.0
  Re  Re2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.1674  0.2434  0.8744  1.0
  I  I4  2  0.2498  0.5000  0.5089  1.0
  I  I5  2  0.3335  0.0000  0.2148  1.0
]