data_[Rb4Tl4Fe4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1563]
_cell_length_b [14.5808]
_cell_length_c [11.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTlFeI5]
_chemical_formula_sum '[Rb4 Tl4 Fe4 I20]'
_cell_volume [1669.6271]
_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  0.3561  0.2500  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3243  0.7500  1.0
  I  I3  8  0.1223  0.2252  0.6509  1.0
  I  I4  8  0.1645  0.4274  0.9353  1.0
  I  I5  4  0.0000  0.1154  0.2500  1.0
]