data_[K4Ge4I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.1127]
_cell_length_b [7.4067]
_cell_length_c [15.8317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KGeI3]
_chemical_formula_sum '[K4 Ge4 I12]'
_cell_volume [990.0076]
_cell_formula_units_Z [4]
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  4  0.1910  0.0294  0.6865  1.0
  Ge  Ge1  4  0.3671  0.5388  0.9124  1.0
  I  I2  4  0.1362  0.0010  0.2385  1.0
  I  I3  4  0.1875  0.7156  0.9898  1.0
  I  I4  4  0.4776  0.1803  0.1263  1.0
]