data_[Tl4Sn4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.7903]
_cell_length_b [3.2917]
_cell_length_c [8.9747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlSnAuO3]
_chemical_formula_sum '[Tl4 Sn4 Au4 O12]'
_cell_volume [407.3936]
_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  0.2386  0.2500  0.6138  1
  Sn  Sn1  4  0.0198  0.2500  0.3438  1
  Au  Au2  4  0.0885  0.2500  0.9728  1
  O  O3  4  0.0580  0.2500  0.7481  1
  O  O4  4  0.0776  0.7500  0.4709  1
  O  O5  4  0.1284  0.2500  0.1951  1
]