data_[Tl4In2Si2Au12]
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
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.8325]
_cell_length_b [9.0098]
_cell_length_c [7.7172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2InSiAu6]
_chemical_formula_sum '[Tl4 In2 Si2 Au12]'
_cell_volume [475.0633]
_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  0.1965  0.6730  1.0
  In  In1  2  0.0000  0.5000  0.2755  1.0
  Si  Si2  2  0.0000  0.0000  0.2357  1.0
  Au  Au3  4  0.0000  0.2370  0.0735  1.0
  Au  Au4  4  0.2074  0.5000  0.9581  1.0
  Au  Au5  4  0.2109  0.5000  0.5771  1.0
]