data_[Na24Hg4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.4258]
_cell_length_b [9.6930]
_cell_length_c [11.2233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na6HgGe2]
_chemical_formula_sum '[Na24 Hg4 Ge8]'
_cell_volume [1025.4115]
_cell_formula_units_Z [4]
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  8  0.0000  0.2971  0.3176  1.0
  Na  Na1  8  0.1982  0.2768  0.0000  1.0
  Na  Na2  8  0.2089  0.0000  0.2411  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge5  4  0.0000  0.5000  0.1083  1.0
  Ge  Ge6  4  0.1311  0.5000  0.5000  1.0
]