data_[Na7Ag1Hg2]
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 [P3m1]
_cell_length_a [5.2639]
_cell_length_b [5.2639]
_cell_length_c [12.7897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na7AgHg2]
_chemical_formula_sum '[Na7 Ag1 Hg2]'
_cell_volume [306.9014]
_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  1  0.0000  0.0000  0.2569  1.0
  Na  Na1  1  0.0000  0.0000  0.7472  1.0
  Na  Na2  1  0.3333  0.6667  0.0214  1.0
  Na  Na3  1  0.3333  0.6667  0.5629  1.0
  Na  Na4  1  0.6667  0.3333  0.1433  1.0
  Na  Na5  1  0.6667  0.3333  0.4098  1.0
  Na  Na6  1  0.6667  0.3333  0.8907  1.0
  Ag  Ag7  1  0.0000  0.0000  0.0033  1.0
  Hg  Hg8  1  0.3333  0.6667  0.2967  1.0
  Hg  Hg9  1  0.6667  0.3333  0.6511  1.0
]