data_[Tl2Te5Au1]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7713]
_cell_length_b [6.9842]
_cell_length_c [7.1147]
_cell_angle_alpha [74.2699]
_cell_angle_beta [74.0066]
_cell_angle_gamma [72.8495]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2Te5Au]
_chemical_formula_sum '[Tl2 Te5 Au1]'
_cell_volume [302.3878]
_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  0.0891  0.3852  0.2428  1
  Tl  Tl1  1  0.8071  0.8116  0.7281  1
  Te  Te2  1  0.2065  0.8022  0.3069  1
  Te  Te3  1  0.2876  0.1249  0.7030  1
  Te  Te4  1  0.3518  0.4828  0.7497  1
  Te  Te5  1  0.7045  0.8195  0.2886  1
  Te  Te6  1  0.7988  0.3186  0.7308  1
  Au  Au7  1  0.9776  0.0322  0.0271  1
]