data_[Sn6Te2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1486]
_cell_length_b [7.1815]
_cell_length_c [9.7987]
_cell_angle_alpha [68.7883]
_cell_angle_beta [68.6498]
_cell_angle_gamma [60.7757]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn3TeAu3]
_chemical_formula_sum '[Sn6 Te2 Au6]'
_cell_volume [398.2605]
_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
[
  Sn  Sn0  2  0.0758  0.7182  0.7547  1
  Sn  Sn1  2  0.2764  0.5513  0.2448  1
  Sn  Sn2  2  0.4490  0.0718  0.7576  1
  Te  Te3  2  0.3300  0.3321  0.0021  1
  Au  Au4  2  0.1479  0.4338  0.5957  1
  Au  Au5  2  0.1748  0.8610  0.4018  1
  Au  Au6  2  0.4427  0.8189  0.5966  1
]