data_[Rb12Fe6Sb6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3615]
_cell_length_b [7.3615]
_cell_length_c [35.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2FeSbCl6]
_chemical_formula_sum '[Rb12 Fe6 Sb6 Cl36]'
_cell_volume [1652.8697]
_cell_formula_units_Z [6]
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  0.0000  0.0000  0.1253  1
  Rb  Rb1  6  0.0000  0.0000  0.2927  1
  Fe  Fe2  6  0.0000  0.0000  0.4209  1
  Sb  Sb3  3  -0.0000  -0.0000  0.5000  1
  Sb  Sb4  3  0.0000  0.0000  0.0000  1
  Cl  Cl5  18  0.0144  0.5072  0.2901  1
  Cl  Cl6  18  0.0147  0.5073  0.8778  1
]