data_[Cs4Pr2Ga2I12]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.9514]
_cell_length_b [12.6700]
_cell_length_c [9.0759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2PrGaI6]
_chemical_formula_sum '[Cs4 Pr2 Ga2 I12]'
_cell_volume [1029.3405]
_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  0.0000  0.2679  0.2251  1.0
  Pr  Pr1  2  0.0000  0.0000  0.7597  1.0
  Ga  Ga2  2  0.0000  0.5000  0.7378  1.0
  I  I3  4  0.0000  0.2484  0.7630  1.0
  I  I4  4  0.2431  0.0000  0.0097  1.0
  I  I5  4  0.2456  0.5000  0.4746  1.0
]