data_SnBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2Au
_chemical_formula_sum   'Sn1 Bi2 Au1'
_cell_volume   107.3
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.75  0.83  0.76  1.0
  Bi  Bi2  1  0.75  0.17  0.76  1.0
  Au  Au0  1  0.5  0.0  0.0  1.0

data_SnBi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   102.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBi2Au
_chemical_formula_sum   'Sn1 Bi2 Au1'
_cell_volume   107.3
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.76  0.75  0.17  1.0
  Bi  Bi2  1  0.76  0.75  0.83  1.0
  Au  Au3  1  -0.0  0.5  0.0  1.0

Sn Bi Bi Au
Sn Bi Bi Au 0 1 - - - 0 2 - o - 1 3 o + + 1 2 o + o 2 3 o o + 