data_SrGaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.01
_cell_length_c   3.62
_cell_angle_alpha   73.91
_cell_angle_beta   71.26
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaAu
_chemical_formula_sum   'Sr1 Ga1 Au1'
_cell_volume   71.76
_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  Sr2  1  0.46  0.66  0.28  1.0
  Ga  Ga1  1  0.46  0.66  0.66  1.0
  Au  Au0  1  0.46  0.66  0.03  1.0

data_SrGaAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   10.96
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   132.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGaAu
_chemical_formula_sum   'Sr2 Ga2 Au2'
_cell_volume   143.51
_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  0.16  0.5  0.27  1.0
  Ga  Ga1  2  0.16  0.5  0.89  1.0
  Au  Au2  2  0.16  0.5  0.51  1.0

Sr Ga Au
Sr Ga Au 0 2 o o o 0 1 o o o 1 2 o o + 