data_Si2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   6.9
_cell_angle_alpha   106.36
_cell_angle_beta   106.36
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnAu
_chemical_formula_sum   'Si2 Sn1 Au1'
_cell_volume   80.92
_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  0.36  0.0  0.33  1.0
  Si  Si2  1  0.99  0.0  0.31  1.0
  Sn  Sn3  1  0.1  0.0  0.26  1.0
  Au  Au0  1  0.31  0.0  0.42  1.0

data_Si2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   6.87
_cell_angle_alpha   90.45
_cell_angle_beta   105.53
_cell_angle_gamma   119.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnAu
_chemical_formula_sum   'Si2 Sn1 Au1'
_cell_volume   80.92
_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  Si0  1  0.03  0.0  0.67  1.0
  Si  Si1  1  0.69  0.0  0.69  1.0
  Sn  Sn2  1  0.84  0.0  0.74  1.0
  Au  Au3  1  0.89  0.0  0.58  1.0

Si Si Sn Au
Si Si Sn Au 0 3 o o o 1 2 + o o 