data_[Tl4In2Ga2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.0318]
_cell_length_b [8.6605]
_cell_length_c [7.8217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2InGaAu6]
_chemical_formula_sum '[Tl4 In2 Ga2 Au12]'
_cell_volume [476.3346]
_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  4  0.0000  0.2003  0.3332  1.0
  In  In1  2  0.0000  0.5000  0.7476  1.0
  Ga  Ga2  2  0.0000  0.0000  0.7344  1.0
  Au  Au3  4  0.0000  0.2321  0.9547  1.0
  Au  Au4  4  0.2038  0.5000  0.4471  1.0
  Au  Au5  4  0.2081  0.5000  0.0608  1.0
]