data_SnAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   6.83
_cell_angle_alpha   104.42
_cell_angle_beta   104.42
_cell_angle_gamma   54.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAs2Au
_chemical_formula_sum   'Sn1 As2 Au1'
_cell_volume   88.63
_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  0.96  0.0  0.7  1.0
  As  As0  1  0.15  0.0  0.42  1.0
  As  As1  1  0.56  0.0  0.92  1.0
  Au  Au2  1  0.67  0.0  0.35  1.0

data_SnAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.08
_cell_length_c   6.83
_cell_angle_alpha   104.42
_cell_angle_beta   90.0
_cell_angle_gamma   117.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAs2Au
_chemical_formula_sum   'Sn1 As2 Au1'
_cell_volume   88.63
_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  0.04  0.3  1.0
  As  As1  1  0.0  0.44  0.08  1.0
  As  As2  1  0.0  0.85  0.58  1.0
  Au  Au3  1  0.0  0.33  0.65  1.0

Sn As As Au