data_[Na2Tl1In4Hg2]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5622]
_cell_length_b [3.5622]
_cell_length_c [22.8937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na2Tl(In2Hg)2]
_chemical_formula_sum '[Na2 Tl1 In4 Hg2]'
_cell_volume [251.5842]
_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  0.6667  0.3333  0.2132  1
  Na  Na1  1  0.6667  0.3333  0.4415  1
  Tl  Tl2  1  0.0000  0.0000  0.3269  1
  In  In3  1  0.0000  0.0000  0.5550  1
  In  In4  1  0.0000  0.0000  0.7595  1
  In  In5  1  0.6667  0.3333  0.0778  1
  In  In6  1  0.6667  0.3333  0.8718  1
  Hg  Hg7  1  0.0000  0.0000  0.9750  1
  Hg  Hg8  1  0.6667  0.3333  0.6564  1
]