data_[Rb2Fe4Cu2I16]
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/m]
_cell_length_a [11.7314]
_cell_length_b [8.2465]
_cell_length_c [10.6798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFe2CuI8]
_chemical_formula_sum '[Rb2 Fe4 Cu2 I16]'
_cell_volume [1022.0737]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1158  0.5000  0.7860  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0143  0.2502  0.2021  1.0
  I  I4  4  0.1898  0.5000  0.5739  1.0
  I  I5  4  0.2317  0.0000  0.0151  1.0
]