data_[K1Ge2Sb1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3738]
_cell_length_b [7.7125]
_cell_length_c [9.5862]
_cell_angle_alpha [85.3238]
_cell_angle_beta [85.5986]
_cell_angle_gamma [85.3916]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KGe2SbI8]
_chemical_formula_sum '[K1 Ge2 Sb1 I8]'
_cell_volume [540.2475]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1
  Ge  Ge1  2  0.4491  0.4630  0.7442  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  I  I3  2  0.2335  0.3178  0.9762  1
  I  I4  2  0.2475  0.8281  0.2205  1
  I  I5  2  0.2521  0.8257  0.7756  1
  I  I6  2  0.2825  0.3575  0.5255  1
]