data_[Na6Ca3Ge3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0080]
_cell_length_b [7.0080]
_cell_length_c [18.7403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2CaGeCl6]
_chemical_formula_sum '[Na6 Ca3 Ge3 Cl18]'
_cell_volume [797.0637]
_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  0.0192  1.0
  Na  Na1  3  0.0000  0.0000  0.5206  1.0
  Ca  Ca2  3  0.0000  0.0000  0.8193  1.0
  Ge  Ge3  3  0.0000  0.0000  0.3210  1.0
  Cl  Cl4  9  0.0156  0.3725  0.5809  1.0
  Cl  Cl5  9  0.0180  0.7089  0.4128  1.0
]