data_[In1Ge2Bi1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [7.3194]
_cell_length_b [7.6876]
_cell_length_c [9.3522]
_cell_angle_alpha [86.8242]
_cell_angle_beta [87.1616]
_cell_angle_gamma [87.9803]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InGe2BiI8]
_chemical_formula_sum '[In1 Ge2 Bi1 I8]'
_cell_volume [524.5039]
_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
[
  In  In0  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  2  0.4656  0.4740  0.7458  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.2451  0.3305  0.9858  1.0
  I  I4  2  0.2546  0.8241  0.7682  1.0
  I  I5  2  0.2558  0.8294  0.2299  1.0
  I  I6  2  0.2816  0.3513  0.5249  1.0
]