data_[Cs4K2Pr2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [8.8922]
_cell_length_b [9.3962]
_cell_length_c [15.4772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2KPrI6]
_chemical_formula_sum '[Cs4 K2 Pr2 I12]'
_cell_volume [1066.7274]
_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
[
  Cs  Cs0  4  0.2785  0.0735  0.2515  1
  K  K1  2  0.5000  0.0000  0.0000  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  I  I3  4  0.1363  0.0273  0.7365  1
  I  I4  4  0.2346  0.7200  0.5528  1
  I  I5  4  0.3335  0.1867  0.5467  1
]