data_Sc2GaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   4.7
_cell_angle_alpha   109.79
_cell_angle_beta   109.79
_cell_angle_gamma   34.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaAu
_chemical_formula_sum   'Sc2 Ga1 Au1'
_cell_volume   79.3
_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  0.09  0.0  0.25  1.0
  Sc  Sc3  1  0.8  0.0  0.26  1.0
  Ga  Ga1  1  0.19  0.0  0.37  1.0
  Au  Au0  1  0.76  0.0  0.11  1.0

data_Sc2GaAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.7
_cell_length_c   5.65
_cell_angle_alpha   109.79
_cell_angle_beta   107.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaAu
_chemical_formula_sum   'Sc2 Ga1 Au1'
_cell_volume   79.3
_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  0.25  0.09  1.0
  Sc  Sc1  1  0.0  0.26  0.8  1.0
  Ga  Ga2  1  0.0  0.37  0.19  1.0
  Au  Au3  1  0.0  0.11  0.76  1.0

Sc Sc Ga Au