data_ScGaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   141.41
_cell_angle_beta   131.46
_cell_angle_gamma   63.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaAu
_chemical_formula_sum   'Sc1 Ga1 Au1'
_cell_volume   57.16
_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  0.0  0.0  0.84  1.0
  Ga  Ga1  1  0.0  0.0  0.66  1.0
  Au  Au0  1  0.0  0.0  0.45  1.0

data_ScGaAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.1
_cell_length_c   4.98
_cell_angle_alpha   114.27
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaAu
_chemical_formula_sum   'Sc1 Ga1 Au1'
_cell_volume   57.16
_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  Sc0  1  0.0  0.84  0.84  1.0
  Ga  Ga1  1  0.0  0.66  0.66  1.0
  Au  Au2  1  0.0  0.45  0.45  1.0

Sc Ga Au