data_[Na36Hg18Ge3]
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 [R-3]
_cell_length_a [11.3159]
_cell_length_b [11.3159]
_cell_length_c [14.2877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12Hg6Ge]
_chemical_formula_sum '[Na36 Hg18 Ge3]'
_cell_volume [1584.4101]
_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  18  0.0346  0.1886  0.8248  1.0
  Na  Na1  18  0.0572  0.8407  0.4100  1.0
  Hg  Hg2  18  0.0321  0.4350  0.7098  1.0
  Ge  Ge3  3  0.0000  0.0000  0.0000  1.0
]