data_SrSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   120.8
_cell_angle_beta   120.8
_cell_angle_gamma   88.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiAu2
_chemical_formula_sum   'Sr1 Si1 Au2'
_cell_volume   88.5
_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
  Sr  Sr3  1  0.0  0.0  0.59  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.48  0.8  1.0
  Au  Au1  1  0.48  0.0  0.8  1.0

data_SrSiAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   134.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSiAu2
_chemical_formula_sum   'Sr2 Si2 Au4'
_cell_volume   177.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.41  0.0  0.41  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Au  Au2  4  0.44  0.24  0.68  1.0

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