data_[Tl12Au2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.4107]
_cell_length_b [3.5599]
_cell_length_c [13.0745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6AuO3]
_chemical_formula_sum '[Tl12 Au2 O6]'
_cell_volume [496.9160]
_cell_formula_units_Z [2]
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  0.0156  0.2500  0.7577  1.0
  Tl  Tl1  2  0.1445  0.7500  0.0628  1.0
  Tl  Tl2  2  0.1994  0.7500  0.6036  1.0
  Tl  Tl3  2  0.3478  0.2500  0.4278  1.0
  Tl  Tl4  2  0.3696  0.7500  0.8930  1.0
  Tl  Tl5  2  0.4997  0.7500  0.2797  1.0
  Au  Au6  2  0.3607  0.2500  0.0827  1.0
  O  O7  2  0.0067  0.2500  0.1164  1.0
  O  O8  2  0.2930  0.2500  0.7476  1.0
  O  O9  2  0.4169  0.7500  0.5748  1.0
]