data_[Cs1Sr2Pr1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5867]
_cell_length_b [10.3406]
_cell_length_c [7.9480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsSr2PrI8]
_chemical_formula_sum '[Cs1 Sr2 Pr1 I8]'
_cell_volume [623.5193]
_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  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2504  0.5000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2494  0.2095  0.1588  1.0
  I  I4  2  0.2523  0.0000  0.6694  1.0
  I  I5  2  0.2614  0.5000  0.6084  1.0
]