data_[Na1Tl2Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4646]
_cell_length_b [5.4646]
_cell_length_c [12.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaTl2Hg7]
_chemical_formula_sum '[Na1 Tl2 Hg7]'
_cell_volume [318.5678]
_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  0.9907  1.0
  Tl  Tl1  1  0.3333  0.6667  0.3349  1.0
  Tl  Tl2  1  0.6667  0.3333  0.6329  1.0
  Hg  Hg3  1  0.0000  0.0000  0.2512  1.0
  Hg  Hg4  1  0.0000  0.0000  0.7337  1.0
  Hg  Hg5  1  0.3333  0.6667  0.0393  1.0
  Hg  Hg6  1  0.3333  0.6667  0.5950  1.0
  Hg  Hg7  1  0.6667  0.3333  0.1337  1.0
  Hg  Hg8  1  0.6667  0.3333  0.3853  1.0
  Hg  Hg9  1  0.6667  0.3333  0.8868  1.0
]