data_SiAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   5.0
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu2Cl
_chemical_formula_sum   'Si1 Au2 Cl1'
_cell_volume   81.94
_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
  Si  Si3  1  0.01  0.0  0.75  1.0
  Au  Au0  1  0.73  0.5  0.1  1.0
  Au  Au1  1  0.77  0.0  0.34  1.0
  Cl  Cl2  1  0.23  0.5  0.18  1.0

data_SiAu2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.86
_cell_length_b   5.0
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SiAu2Cl
_chemical_formula_sum   'Si1 Au2 Cl1'
_cell_volume   81.94
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Si  Si0  1  0.01  0.0  0.75  1.0
  Au  Au1  1  0.73  0.5  0.1  1.0
  Au  Au2  1  0.77  0.0  0.34  1.0
  Cl  Cl3  1  0.23  0.5  0.18  1.0

Si Au Au Cl
Si Au Au Cl 0 2 - o o 1 3 o o o 1 3 + o o 