data_[Na36Ag3Hg21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2838]
_cell_length_b [14.2838]
_cell_length_c [9.6118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12AgHg7]
_chemical_formula_sum '[Na36 Ag3 Hg21]'
_cell_volume [1698.3442]
_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  0.0351  0.2422  0.9197  1.0
  Na  Na1  18  0.0619  0.8076  0.4559  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0091  0.1500  0.2360  1.0
  Hg  Hg4  3  0.0000  0.0000  0.5000  1.0
]