data_[Cs1Ge2Bi1I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5405]
_cell_length_b [8.3217]
_cell_length_c [10.7227]
_cell_angle_alpha [70.4131]
_cell_angle_beta [76.7878]
_cell_angle_gamma [73.5970]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsGe2BiI8]
_chemical_formula_sum '[Cs1 Ge2 Bi1 I8]'
_cell_volume [601.4032]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  2  0.4500  0.4378  0.7208  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1641  0.7050  0.2487  1.0
  I  I4  2  0.2587  0.7941  0.8098  1.0
  I  I5  2  0.2806  0.2299  0.9685  1.0
  I  I6  2  0.4246  0.2650  0.5453  1.0
]