data_[Cs16Sn8Ge8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.7598]
_cell_length_b [15.1867]
_cell_length_c [25.1939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2SnGeSe4]
_chemical_formula_sum '[Cs16 Sn8 Ge8 Se32]'
_cell_volume [2586.3730]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.1812  1.0
  Sn  Sn1  8  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  8  0.0000  0.0000  0.5000  1.0
  Se  Se3  32  0.0238  0.1518  0.3066  1.0
]