data_[Rb4Fe4Cu8I24]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2836]
_cell_length_b [13.9321]
_cell_length_c [8.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbFe(CuI3)2]
_chemical_formula_sum '[Rb4 Fe4 Cu8 I24]'
_cell_volume [1643.1310]
_cell_formula_units_Z [4]
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  0.0000  0.1827  0.2500  1.0
  Fe  Fe1  4  0.0000  0.1819  0.7500  1.0
  Cu  Cu2  8  0.1870  0.4520  0.1798  1.0
  I  I3  8  0.1148  0.0716  0.6811  1.0
  I  I4  8  0.1184  0.2824  0.0054  1.0
  I  I5  8  0.1545  0.4207  0.4459  1.0
]