data_[Hf4Tl4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  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 [Pnma]
_cell_length_a [10.6643]
_cell_length_b [3.2342]
_cell_length_c [10.4981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfTlAuO3]
_chemical_formula_sum '[Hf4 Tl4 Au4 O12]'
_cell_volume [362.0851]
_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
[
  Hf  Hf0  4  0.0420  0.2500  0.1333  1
  Tl  Tl1  4  0.2124  0.7500  0.3899  1
  Au  Au2  4  0.0879  0.2500  0.5727  1
  O  O3  4  0.0464  0.2500  0.7810  1
  O  O4  4  0.1011  0.7500  0.0142  1
  O  O5  4  0.1984  0.2500  0.2363  1
]