data_[Cs4Pr4Zn4Se12]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2277]
_cell_length_b [4.4757]
_cell_length_c [9.2391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPrZnSe3]
_chemical_formula_sum '[Cs4 Pr4 Zn4 Se12]'
_cell_volume [783.0927]
_cell_formula_units_Z [4]
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  0.1467  0.0000  0.5648  1
  Pr  Pr1  4  0.1621  0.0000  0.0539  1
  Zn  Zn2  4  0.0308  0.5000  0.2481  1
  Se  Se3  4  0.1565  0.5000  0.2694  1
  Se  Se4  4  0.1823  0.5000  0.8579  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]