data_[Cs4Zn4Ag2Se8]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0354]
_cell_length_b [4.0772]
_cell_length_c [7.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zn2AgSe4]
_chemical_formula_sum '[Cs4 Zn4 Ag2 Se8]'
_cell_volume [553.0983]
_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  0.1218  0.0000  0.5160  1.0
  Zn  Zn1  4  0.1780  0.5000  0.9962  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0374  0.5000  0.8193  1.0
  Se  Se4  4  0.2249  0.0000  0.1855  1.0
]