data_[Na4Tl12Hg4]
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 [Pnma]
_cell_length_a [7.4333]
_cell_length_b [9.2589]
_cell_length_c [8.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaTl3Hg]
_chemical_formula_sum '[Na4 Tl12 Hg4]'
_cell_volume [606.6146]
_cell_formula_units_Z [4]
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  0.2185  0.7500  0.0424  1.0
  Tl  Tl1  8  0.1189  0.0540  0.8358  1.0
  Tl  Tl2  4  0.1936  0.2500  0.1678  1.0
  Hg  Hg3  4  0.0000  0.0000  0.5000  1.0
]