data_[Cs2Ge2Bi2S8]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7067]
_cell_length_b [6.9616]
_cell_length_c [9.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGeBiS4]
_chemical_formula_sum '[Cs2 Ge2 Bi2 S8]'
_cell_volume [423.3700]
_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  0.2717  0.2500  0.0608  1.0
  Ge  Ge1  2  0.2290  0.7500  0.3379  1.0
  Bi  Bi2  2  0.2265  0.2500  0.5353  1.0
  S  S3  4  0.0061  0.0001  0.3015  1.0
  S  S4  2  0.4256  0.7500  0.1908  1.0
  S  S5  2  0.4393  0.7500  0.5701  1.0
]