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]
_cell_length_a [14.0413]
_cell_length_b [8.1264]
_cell_length_c [14.4209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbCrI3]
_chemical_formula_sum '[Rb8 Cr8 I24]'
_cell_volume [1636.3442]
_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  4  0.1616  0.5470  0.6194  1.0
  Rb  Rb1  4  0.1661  0.5141  0.1178  1.0
  Cr  Cr2  4  0.0009  0.0338  0.7503  1.0
  Cr  Cr3  2  0.0000  0.0673  0.5000  1.0
  Cr  Cr4  2  0.0000  0.9962  0.0000  1.0
  I  I5  4  0.0764  0.8251  0.3918  1.0
  I  I6  4  0.0795  0.2385  0.8938  1.0
  I  I7  4  0.0825  0.7591  0.8963  1.0
  I  I8  4  0.0849  0.3034  0.3975  1.0
  I  I9  4  0.1665  0.0223  0.1642  1.0
  I  I10  4  0.1674  0.0495  0.6637  1.0
]