data_[Sn4Te4Au4]
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 [P2_1/c]
_cell_length_a [6.8687]
_cell_length_b [7.1581]
_cell_length_c [7.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SnTeAu]
_chemical_formula_sum '[Sn4 Te4 Au4]'
_cell_volume [334.7981]
_cell_formula_units_Z [4]
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  4  0.2729  0.1438  0.2376  1
  Te  Te1  4  0.2088  0.6403  0.4153  1
  Au  Au2  4  0.2529  0.0036  0.5810  1
]