data_[Cs1Pr1Au2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7838]
_cell_length_b [7.8044]
_cell_length_c [8.3413]
_cell_angle_alpha [102.4845]
_cell_angle_beta [100.3582]
_cell_angle_gamma [92.5767]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPr(AuI3)2]
_chemical_formula_sum '[Cs1 Pr1 Au2 I6]'
_cell_volume [484.8115]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.5977  0.5744  0.5215  1.0
  Pr  Pr1  1  0.0401  0.9840  0.9514  1.0
  Au  Au2  1  0.0893  0.6266  0.2231  1.0
  Au  Au3  1  0.5790  0.1777  0.8144  1.0
  I  I4  1  0.1423  0.6875  0.6968  1.0
  I  I5  1  0.2926  0.9157  0.2744  1.0
  I  I6  1  0.3413  0.3002  0.9806  1.0
  I  I7  1  0.7138  0.7976  0.0092  1.0
  I  I8  1  0.8108  0.0971  0.6264  1.0
  I  I9  1  0.9154  0.3270  0.2047  1.0
]