data_[Rb8Cr8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0309]
_cell_length_b [8.1245]
_cell_length_c [14.4679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCrI3]
_chemical_formula_sum '[Rb8 Cr8 I24]'
_cell_volume [1640.3631]
_cell_formula_units_Z [8]
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  8  0.1652  0.0180  0.3686  1.0
  Cr  Cr1  4  0.0000  0.4636  0.7500  1.0
  Cr  Cr2  4  0.0000  0.5000  0.0000  1.0
  I  I3  8  0.0767  0.2918  0.1424  1.0
  I  I4  8  0.0857  0.2276  0.6490  1.0
  I  I5  8  0.1667  0.4852  0.9144  1.0
]