data_[Tl2As2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7175]
_cell_length_b [7.2818]
_cell_length_c [8.6072]
_cell_angle_alpha [66.3987]
_cell_angle_beta [70.1076]
_cell_angle_gamma [74.0081]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAsAuSe3]
_chemical_formula_sum '[Tl2 As2 Au2 Se6]'
_cell_volume [358.0206]
_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  0.2757  0.7219  0.7827  1.0
  As  As1  2  0.0087  0.6044  0.3393  1.0
  Au  Au2  2  0.2657  0.0599  0.9892  1.0
  Se  Se3  2  0.1638  0.8842  0.3076  1.0
  Se  Se4  2  0.2123  0.3954  0.1769  1.0
  Se  Se5  2  0.3644  0.2780  0.6804  1.0
]