data_[Cs2Ge2Sb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1124]
_cell_length_b [7.2142]
_cell_length_c [10.0392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGeSbSe4]
_chemical_formula_sum '[Cs2 Ge2 Sb2 Se8]'
_cell_volume [487.6547]
_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  0.2588  0.2500  0.0540  1.0
  Ge  Ge1  2  0.2413  0.7500  0.3335  1.0
  Sb  Sb2  2  0.2281  0.2500  0.4995  1.0
  Se  Se3  4  0.0147  0.0084  0.2997  1.0
  Se  Se4  2  0.4219  0.7500  0.1788  1.0
  Se  Se5  2  0.4457  0.7500  0.5764  1.0
]