data_[Rb6Pr2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7960]
_cell_length_b [9.4616]
_cell_length_c [15.1406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3PrI6]
_chemical_formula_sum '[Rb6 Pr2 I12]'
_cell_volume [1051.2497]
_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  0.2942  0.5840  0.2595  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.0906  0.5586  0.7305  1.0
  I  I4  4  0.2423  0.2221  0.5794  1.0
  I  I5  4  0.3464  0.6774  0.5576  1.0
]