data_[K6Sn3Ge3Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4502]
_cell_length_b [7.4502]
_cell_length_c [21.0816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2SnGeCl6]
_chemical_formula_sum '[K6 Sn3 Ge3 Cl18]'
_cell_volume [1013.3649]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0219  1.0
  K  K1  3  0.0000  0.0000  0.5209  1.0
  Sn  Sn2  3  0.0000  0.0000  0.8123  1.0
  Ge  Ge3  3  0.0000  0.0000  0.3094  1.0
  Cl  Cl4  9  0.0667  0.7213  0.4147  1.0
  Cl  Cl5  9  0.0802  0.3652  0.9175  1.0
]