data_Sn2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.56
_cell_angle_alpha   109.75
_cell_angle_beta   109.75
_cell_angle_gamma   34.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AsAu
_chemical_formula_sum   'Sn2 As1 Au1'
_cell_volume   93.94
_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  0.11  0.0  0.29  1.0
  Sn  Sn3  1  0.17  0.0  0.73  1.0
  As  As0  1  0.19  0.0  0.44  1.0
  Au  Au1  1  0.64  0.0  0.34  1.0

data_Sn2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.56
_cell_length_c   5.61
_cell_angle_alpha   109.75
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AsAu
_chemical_formula_sum   'Sn2 As1 Au1'
_cell_volume   93.94
_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  0.29  0.11  1.0
  Sn  Sn1  1  0.0  0.73  0.17  1.0
  As  As2  1  0.0  0.44  0.19  1.0
  Au  Au3  1  0.0  0.34  0.64  1.0

Sn Sn As Au