data_[Cs2Pr2Pb2Se6]
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 [P2_1/m]
_cell_length_a [9.3391]
_cell_length_b [4.3878]
_cell_length_c [12.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrPbSe3]
_chemical_formula_sum '[Cs2 Pr2 Pb2 Se6]'
_cell_volume [474.4988]
_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  2  0.2273  0.2500  0.2569  1.0
  Pr  Pr1  2  0.3569  0.7500  0.8551  1.0
  Pb  Pb2  2  0.1498  0.2500  0.5739  1.0
  Se  Se3  2  0.1178  0.2500  0.7938  1.0
  Se  Se4  2  0.3532  0.7500  0.6020  1.0
  Se  Se5  2  0.4157  0.7500  0.1072  1.0
]