data_SnAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   128.35
_cell_angle_beta   126.55
_cell_angle_gamma   77.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsAu2
_chemical_formula_sum   'Sn1 As1 Au2'
_cell_volume   81.44
_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  0.98  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.3  0.01  1.0
  Au  Au2  1  0.23  0.0  0.97  1.0

data_SnAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.59
_cell_length_c   5.11
_cell_angle_alpha   116.72
_cell_angle_beta   115.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAsAu2
_chemical_formula_sum   'Sn1 As1 Au2'
_cell_volume   81.44
_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  0.98  0.98  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.97  0.75  1.0
  Au  Au3  1  0.7  0.72  0.72  1.0

Sn As Au Au