data_[Tl4As2Au2Se8]
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 [C2]
_cell_length_a [10.9357]
_cell_length_b [8.3333]
_cell_length_c [7.5947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Tl2AsAuSe4]
_chemical_formula_sum '[Tl4 As2 Au2 Se8]'
_cell_volume [497.2130]
_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  0.0000  0.2081  0.5000  1.0
  Tl  Tl1  2  0.0000  0.9611  0.0000  1.0
  As  As2  2  0.0000  0.7354  0.5000  1.0
  Au  Au3  2  0.0000  0.5818  0.0000  1.0
  Se  Se4  4  0.1466  0.5656  0.8605  1.0
  Se  Se5  4  0.2163  0.8849  0.5782  1.0
]