data_[Tl4Co4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2612]
_cell_length_b [3.1761]
_cell_length_c [9.9581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlCoAuO3]
_chemical_formula_sum '[Tl4 Co4 Au4 O12]'
_cell_volume [324.5411]
_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  0.2315  0.7500  0.8720  1
  Co  Co1  4  0.0376  0.7500  0.6258  1
  Au  Au2  4  0.0503  0.7500  0.0899  1
  O  O3  4  0.0933  0.2500  0.2293  1
  O  O4  4  0.0980  0.7500  0.4511  1
  O  O5  4  0.1315  0.2500  0.7047  1
]