data_[Na1Tl2Hg6Au1]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3454]
_cell_length_b [6.6626]
_cell_length_c [6.9833]
_cell_angle_alpha [90.5614]
_cell_angle_beta [102.3622]
_cell_angle_gamma [105.0625]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTl2Hg6Au]
_chemical_formula_sum '[Na1 Tl2 Hg6 Au1]'
_cell_volume [277.8055]
_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  0.0000  1
  Tl  Tl1  2  0.4716  0.8739  0.7183  1
  Hg  Hg2  2  0.0439  0.2214  0.4348  1
  Hg  Hg3  2  0.1154  0.6161  0.2006  1
  Hg  Hg4  2  0.3892  0.3102  0.8572  1
  Au  Au5  1  0.5000  0.5000  0.5000  1
]