data_[Tl2Ga12Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [10.9200]
_cell_length_b [10.9200]
_cell_length_c [4.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Tl2Ga12Au7]
_chemical_formula_sum '[Tl2 Ga12 Au7]'
_cell_volume [422.4177]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  1  0.6667  0.3333  0.5000  1
  Ga  Ga2  3  0.1142  0.5738  0.5000  1
  Ga  Ga3  3  0.1774  0.3861  0.0000  1
  Ga  Ga4  3  0.2796  0.0466  0.5000  1
  Ga  Ga5  3  0.3946  0.2824  0.0000  1
  Au  Au6  3  0.0355  0.7818  0.5000  1
  Au  Au7  3  0.4565  0.0704  0.0000  1
  Au  Au8  1  0.3333  0.6667  0.0000  1
]