data_[Rb4Pr2Cu2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.5955]
_cell_length_b [10.0613]
_cell_length_c [8.8781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Rb2PrCuI6]
_chemical_formula_sum '[Rb4 Pr2 Cu2 I12]'
_cell_volume [944.8744]
_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  4  0.2485  0.5649  0.2933  1.0
  Pr  Pr1  2  0.0000  0.9797  0.0000  1.0
  Cu  Cu2  2  0.0000  0.6089  0.5000  1.0
  I  I3  4  0.0322  0.1928  0.7898  1.0
  I  I4  4  0.0343  0.7383  0.7916  1.0
  I  I5  4  0.2050  0.4610  0.6541  1.0
]