data_[K3Sn1Ge2I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.4948]
_cell_length_b [8.4948]
_cell_length_c [10.6817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3SnGe2I9]
_chemical_formula_sum '[K3 Sn1 Ge2 I9]'
_cell_volume [667.5424]
_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  2  0.3333  0.6667  0.2672  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge3  2  0.3333  0.6667  0.8317  1.0
  I  I4  6  0.1676  0.3353  0.6794  1.0
  I  I5  3  0.0000  0.5000  0.0000  1.0
]