data_[K2In2Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6468]
_cell_length_b [8.1680]
_cell_length_c [10.1192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KInGeI4]
_chemical_formula_sum '[K2 In2 Ge2 I8]'
_cell_volume [654.7665]
_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
[
  K  K0  2  0.2386  0.7500  0.5554  1.0
  In  In1  2  0.2999  0.7500  0.0395  1.0
  Ge  Ge2  2  0.2056  0.2500  0.2832  1.0
  I  I3  4  0.0267  0.0002  0.7480  1.0
  I  I4  2  0.4120  0.2500  0.5790  1.0
  I  I5  2  0.4386  0.2500  0.0998  1.0
]