data_[Tl6Hg2Au1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5294]
_cell_length_b [7.1710]
_cell_length_c [7.2441]
_cell_angle_alpha [65.0745]
_cell_angle_beta [67.8421]
_cell_angle_gamma [76.4835]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl6Hg2AuO]
_chemical_formula_sum '[Tl6 Hg2 Au1 O1]'
_cell_volume [283.7458]
_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  0.2146  0.6661  0.9810  1.0
  Tl  Tl1  1  0.2380  0.0947  0.1013  1.0
  Tl  Tl2  1  0.3042  0.1777  0.5567  1.0
  Tl  Tl3  1  0.7076  0.8069  0.3909  1.0
  Tl  Tl4  1  0.7601  0.9057  0.8264  1.0
  Tl  Tl5  1  0.7655  0.3367  0.9140  1.0
  Hg  Hg6  1  0.1534  0.6646  0.5542  1.0
  Hg  Hg7  1  0.8729  0.3208  0.4049  1.0
  Au  Au8  1  0.5294  0.5621  0.2233  1.0
  O  O9  1  0.9554  0.9706  0.0454  1.0
]