data_ScGaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.8
_cell_length_c   3.22
_cell_angle_alpha   74.18
_cell_angle_beta   73.66
_cell_angle_gamma   32.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaAu
_chemical_formula_sum   'Sc1 Ga1 Au1'
_cell_volume   55.41
_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
  Sc  Sc2  1  0.26  0.3  0.57  1.0
  Ga  Ga1  1  0.26  0.3  0.05  1.0
  Au  Au0  1  0.26  0.3  0.07  1.0

data_ScGaAu
_symmetry_space_group_name_H-M   Immm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   71
_chemical_formula_structural   ScGaAu
_chemical_formula_sum   'Sc2 Ga2 Au2'
_cell_volume   110.84
_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, -y, z'
  4  'x, y, -z'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x, y, -z'
  8  'x, -y, z'
  9  'x+1/2, y+1/2, z+1/2'
  10  '-x+1/2, -y+1/2, -z+1/2'
  11  '-x+1/2, -y+1/2, z+1/2'
  12  'x+1/2, y+1/2, -z+1/2'
  13  'x+1/2, -y+1/2, -z+1/2'
  14  '-x+1/2, y+1/2, z+1/2'
  15  '-x+1/2, y+1/2, -z+1/2'
  16  'x+1/2, -y+1/2, z+1/2'
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
  Sc  Sc0  2  0.0  0.5  0.5  1.0
  Ga  Ga1  2  0.0  0.0  0.5  1.0
  Au  Au2  2  0.0  0.0  0.5  1.0

Sc Ga Au
Sc Ga Au 0 2 o o o 0 2 o o + 0 1 o o o 0 1 o o + 1 2 o o o 