data_[Tl4Au4O12]
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/c]
_cell_length_a [7.1455]
_cell_length_b [7.4713]
_cell_length_c [6.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlAuO3]
_chemical_formula_sum '[Tl4 Au4 O12]'
_cell_volume [335.0968]
_cell_formula_units_Z [4]
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  4  0.2159  0.6986  0.1301  1.0
  Au  Au1  4  0.2804  0.2440  0.3602  1.0
  O  O2  4  0.0127  0.6812  0.2986  1.0
  O  O3  4  0.2770  0.1043  0.6125  1.0
  O  O4  4  0.4222  0.7058  0.4900  1.0
]