data_Sn2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   4.39
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiAu
_chemical_formula_sum   'Sn2 Bi1 Au1'
_cell_volume   106.03
_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  Sn2  1  0.55  0.0  0.16  1.0
  Sn  Sn3  1  0.7  0.2  0.86  1.0
  Bi  Bi1  1  0.51  0.2  0.86  1.0
  Au  Au0  1  0.35  0.0  0.17  1.0

data_Sn2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.39
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2BiAu
_chemical_formula_sum   'Sn2 Bi1 Au1'
_cell_volume   106.03
_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  0.55  0.0  0.16  1.0
  Sn  Sn1  1  0.7  0.2  0.86  1.0
  Bi  Bi2  1  0.51  0.2  0.86  1.0
  Au  Au3  1  0.35  0.0  0.17  1.0

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