data_[Rb4Cd4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4755]
_cell_length_b [4.5972]
_cell_length_c [17.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbCdI3]
_chemical_formula_sum '[Rb4 Cd4 I12]'
_cell_volume [824.5953]
_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  0.0622  0.7500  0.3257  1.0
  Cd  Cd1  4  0.1635  0.2500  0.0546  1.0
  I  I2  4  0.0260  0.2500  0.8995  1.0
  I  I3  4  0.1686  0.2500  0.4948  1.0
  I  I4  4  0.2221  0.7500  0.7084  1.0
]