data_[Cs4Pr4Cu8I24]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3680]
_cell_length_b [15.5386]
_cell_length_c [10.2078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPr(CuI3)2]
_chemical_formula_sum '[Cs4 Pr4 Cu8 I24]'
_cell_volume [1717.2560]
_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
[
  Cs  Cs0  4  0.0000  0.1402  0.2500  1.0
  Pr  Pr1  4  0.0000  0.4430  0.7500  1.0
  Cu  Cu2  8  0.2382  0.3699  0.2422  1.0
  I  I3  8  0.0211  0.3836  0.0666  1.0
  I  I4  8  0.1855  0.2791  0.7809  1.0
  I  I5  8  0.2094  0.0077  0.5944  1.0
]