data_[Tl4Hg2Au1O1]
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 [P2/m]
_cell_length_a [7.3491]
_cell_length_b [3.7603]
_cell_length_c [8.4368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4Hg2AuO]
_chemical_formula_sum '[Tl4 Hg2 Au1 O1]'
_cell_volume [227.7391]
_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  2  0.2713  0.5000  0.1963  1.0
  Tl  Tl1  2  0.3120  0.0000  0.8276  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  1  0.5000  0.0000  0.5000  1.0
  Au  Au4  1  0.0000  0.0000  0.0000  1.0
  O  O5  1  0.5000  0.5000  0.0000  1.0
]