data_[Cs2Sn2Ge2Se6]
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 [P2_1/m]
_cell_length_a [9.6964]
_cell_length_b [4.7401]
_cell_length_c [10.1949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSnGeSe3]
_chemical_formula_sum '[Cs2 Sn2 Ge2 Se6]'
_cell_volume [452.6196]
_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  0.1751  0.7500  0.2108  1
  Sn  Sn1  2  0.3763  0.2500  0.8615  1
  Ge  Ge2  2  0.1030  0.7500  0.5991  1
  Se  Se3  2  0.1376  0.7500  0.8371  1
  Se  Se4  2  0.1624  0.2500  0.5240  1
  Se  Se5  2  0.4317  0.2500  0.1345  1
]