data_[Cs4Zn4Sn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4679]
_cell_length_b [4.3042]
_cell_length_c [8.4888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zn2SnSe4]
_chemical_formula_sum '[Cs4 Zn4 Sn2 Se8]'
_cell_volume [567.9375]
_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  0.1302  0.0000  0.5406  1.0
  Zn  Zn1  4  0.1709  0.5000  0.9715  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0268  0.5000  0.7676  1.0
  Se  Se4  4  0.2034  0.0000  0.1512  1.0
]