data_[Tl2Sn1Hg6Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2763]
_cell_length_b [6.6648]
_cell_length_c [7.0919]
_cell_angle_alpha [89.9199]
_cell_angle_beta [70.9467]
_cell_angle_gamma [86.5734]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2SnHg6Au]
_chemical_formula_sum '[Tl2 Sn1 Hg6 Au1]'
_cell_volume [279.8543]
_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
[
  Tl  Tl0  1  0.3080  0.3061  0.2511  1.0
  Tl  Tl1  1  0.5652  0.7338  0.9277  1.0
  Sn  Sn2  1  0.6828  0.5010  0.4949  1.0
  Hg  Hg3  1  0.1003  0.7946  0.3083  1.0
  Hg  Hg4  1  0.1540  0.6027  0.6842  1.0
  Hg  Hg5  1  0.3708  0.1668  0.7827  1.0
  Hg  Hg6  1  0.5780  0.9361  0.3691  1.0
  Hg  Hg7  1  0.8694  0.3768  0.0653  1.0
  Hg  Hg8  1  0.9022  0.1424  0.6402  1.0
  Au  Au9  1  0.9683  0.9358  0.9756  1.0
]