data_[Cs2Pr2Al2Se8]
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
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3825]
_cell_length_b [6.1007]
_cell_length_c [10.3533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrAlSe4]
_chemical_formula_sum '[Cs2 Pr2 Al2 Se8]'
_cell_volume [450.9065]
_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  0.2514  0.2500  0.0427  1.0
  Pr  Pr1  2  0.2503  0.2500  0.5526  1.0
  Al  Al2  2  0.2582  0.7500  0.3353  1.0
  Se  Se3  4  0.0012  0.5119  0.7022  1.0
  Se  Se4  2  0.4089  0.7500  0.5674  1.0
  Se  Se5  2  0.4526  0.7500  0.1894  1.0
]