data_[Cs2Pr2Sn2Se8]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1412]
_cell_length_b [7.3195]
_cell_length_c [10.0081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrSnSe4]
_chemical_formula_sum '[Cs2 Pr2 Sn2 Se8]'
_cell_volume [497.3987]
_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  0.2526  0.2500  0.0588  1
  Pr  Pr1  2  0.2237  0.2500  0.5502  1
  Sn  Sn2  2  0.2273  0.7500  0.3344  1
  Se  Se3  4  0.0191  0.5147  0.7002  1
  Se  Se4  2  0.4359  0.7500  0.1726  1
  Se  Se5  2  0.4529  0.7500  0.5854  1
]