data_[Cs4Pr2Pb4Se8]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2588]
_cell_length_b [4.4561]
_cell_length_c [8.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pr(PbSe2)2]
_chemical_formula_sum '[Cs4 Pr2 Pb4 Se8]'
_cell_volume [692.4847]
_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  0.1248  0.0000  0.5565  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.1796  0.5000  0.0171  1.0
  Se  Se3  4  0.0170  0.5000  0.7849  1.0
  Se  Se4  4  0.1727  0.0000  0.2111  1.0
]