data_SrAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAgAu2
_chemical_formula_sum   'Sr1 Ag1 Au2'
_cell_volume   91.49
_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  0.43  1.0
  Ag  Ag0  1  0.56  0.0  0.33  1.0
  Au  Au1  1  0.0  0.0  0.08  1.0
  Au  Au2  1  0.56  0.0  0.23  1.0

data_SrAgAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrAgAu2
_chemical_formula_sum   'Sr1 Ag1 Au2'
_cell_volume   91.58
_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
  Sr  Sr0  1  0.0  0.0  0.43  1.0
  Ag  Ag1  1  0.56  0.0  0.33  1.0
  Au  Au2  1  0.0  0.0  0.08  1.0
  Au  Au3  1  0.56  0.0  0.23  1.0

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