data_[Tl2Te6As2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4636]
_cell_length_b [4.1810]
_cell_length_c [9.8761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlTe3AsAu]
_chemical_formula_sum '[Tl2 Te6 As2 Au2]'
_cell_volume [375.1946]
_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  2  0.1685  0.7500  0.2334  1
  Te  Te1  2  0.1296  0.7500  0.8703  1
  Te  Te2  2  0.2544  0.2500  0.5345  1
  Te  Te3  2  0.4481  0.2500  0.1547  1
  As  As4  2  0.3478  0.2500  0.8671  1
  Au  Au5  2  0.0861  0.7500  0.5769  1
]