data_[Rb4Yb4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Yb  1.1000  1.7500  1.0840
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6343]
_cell_length_b [4.6713]
_cell_length_c [17.5083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbYbI3]
_chemical_formula_sum '[Rb4 Yb4 I12]'
_cell_volume [869.7386]
_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  0.0732  0.7500  0.3211  1.0
  Yb  Yb1  4  0.1682  0.2500  0.0545  1.0
  I  I2  4  0.0183  0.2500  0.8967  1.0
  I  I3  4  0.1663  0.2500  0.4890  1.0
  I  I4  4  0.2049  0.7500  0.7116  1.0
]