data_SiTeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.83
_cell_length_c   3.2
_cell_angle_alpha   77.25
_cell_angle_beta   75.75
_cell_angle_gamma   27.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeAu
_chemical_formula_sum   'Si1 Te1 Au1'
_cell_volume   66.12
_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
  Si  Si1  1  0.2  0.33  0.25  1.0
  Te  Te2  1  0.2  0.33  0.28  1.0
  Au  Au0  1  0.2  0.33  0.41  1.0

data_SiTeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   12.94
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   133.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTeAu
_chemical_formula_sum   'Si2 Te2 Au2'
_cell_volume   132.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.25  0.0  0.44  1.0
  Te  Te1  2  0.28  0.0  0.48  1.0
  Au  Au2  2  0.41  0.0  0.6  1.0

Si Te Au