data_[Rb8Cr8Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.4690]
_cell_length_b [7.1441]
_cell_length_c [12.8220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbCrCl3]
_chemical_formula_sum '[Rb8 Cr8 Cl24]'
_cell_volume [1140.8468]
_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  0.1635  0.5453  0.6229  1.0
  Rb  Rb1  4  0.1691  0.5106  0.1200  1.0
  Cr  Cr2  4  0.0027  0.0287  0.2503  1.0
  Cr  Cr3  2  0.0000  0.0598  0.5000  1.0
  Cr  Cr4  2  0.0000  0.9919  0.0000  1.0
  Cl  Cl5  4  0.0733  0.2323  0.8890  1.0
  Cl  Cl6  4  0.0769  0.8238  0.3894  1.0
  Cl  Cl7  4  0.0788  0.7604  0.8934  1.0
  Cl  Cl8  4  0.0858  0.2925  0.3981  1.0
  Cl  Cl9  4  0.1605  0.0433  0.6607  1.0
  Cl  Cl10  4  0.1654  0.0145  0.1583  1.0
]