data_[Na12Ag1Hg3]
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 [P4/mmm]
_cell_length_a [4.9285]
_cell_length_b [4.9285]
_cell_length_c [18.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na12AgHg3]
_chemical_formula_sum '[Na12 Ag1 Hg3]'
_cell_volume [457.8887]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1197  1
  Na  Na1  4  0.0000  0.5000  0.3732  1
  Na  Na2  2  0.5000  0.5000  0.2461  1
  Na  Na3  1  0.5000  0.5000  0.0000  1
  Na  Na4  1  0.5000  0.5000  0.5000  1
  Ag  Ag5  1  0.0000  0.0000  0.0000  1
  Hg  Hg6  2  0.0000  0.0000  0.2487  1
  Hg  Hg7  1  0.0000  0.0000  0.5000  1
]