data_[Na6Sn3Ge3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.3267]
_cell_length_b [7.3267]
_cell_length_c [19.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2SnGeCl6]
_chemical_formula_sum '[Na6 Sn3 Ge3 Cl18]'
_cell_volume [928.7622]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0112  1.0
  Na  Na1  3  0.0000  0.0000  0.5196  1.0
  Sn  Sn2  3  0.0000  0.0000  0.8307  1.0
  Ge  Ge3  3  0.0000  0.0000  0.3406  1.0
  Cl  Cl4  9  0.0628  0.3720  0.5765  1.0
  Cl  Cl5  9  0.0834  0.7067  0.0760  1.0
]