data_[Cs4La4Pr4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [11.6104]
_cell_length_b [11.6711]
_cell_length_c [16.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsLaPrI6]
_chemical_formula_sum '[Cs4 La4 Pr4 I24]'
_cell_volume [2248.4597]
_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  0.2500  0.0548  1
  La  La1  4  0.0000  0.0000  0.5000  1
  Pr  Pr2  4  0.2500  0.2500  0.7500  1
  I  I3  16  0.2106  0.0504  0.6205  1
  I  I4  4  0.0000  0.2500  0.4199  1
  I  I5  4  0.0000  0.2500  0.8239  1
]