data_SrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28
_cell_length_b   4.97
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAu
_chemical_formula_sum   'Sr4 Au4'
_cell_volume   250.25
_cell_formula_units_Z   4
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  Sr4  1  0.51  0.73  0.54  1.0
  Sr  Sr5  1  0.62  0.24  0.58  1.0
  Sr  Sr6  1  0.65  0.73  0.5  1.0
  Sr  Sr7  1  0.76  0.24  0.54  1.0
  Au  Au0  1  0.58  0.73  0.59  1.0
  Au  Au1  1  0.56  0.24  0.55  1.0
  Au  Au2  1  0.72  0.73  0.53  1.0
  Au  Au3  1  0.69  0.24  0.49  1.0

data_SrAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.97
_cell_length_b   6.08
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrAu
_chemical_formula_sum   'Sr4 Au4'
_cell_volume   250.25
_cell_formula_units_Z   4
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  2  0.24  0.5  0.38  1.0
  Sr  Sr1  2  0.24  0.46  0.51  1.0
  Au  Au2  2  0.24  0.55  0.44  1.0
  Au  Au3  2  0.24  0.49  0.58  1.0

Sr Sr Sr Sr Au Au Au Au
Sr Sr Sr Sr Au Au Au Au 0 4 o o o 1 5 o o o 1 7 o o o 2 6 o o o 2 4 o o o 3 7 o o o 