data_[Na12Cd2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8070]
_cell_length_b [5.2234]
_cell_length_c [9.7332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na6CdGe3]
_chemical_formula_sum '[Na12 Cd2 Ge6]'
_cell_volume [514.7869]
_cell_formula_units_Z [2]
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  4  0.0346  0.0000  0.6926  1
  Na  Na1  4  0.1546  0.5000  0.9940  1
  Na  Na2  4  0.1909  0.5000  0.3683  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Ge  Ge4  4  0.2418  0.5000  0.7432  1
  Ge  Ge5  2  0.0000  0.5000  0.5000  1
]