data_Sc2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.8
_cell_angle_alpha   100.92
_cell_angle_beta   100.92
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2IrAu
_chemical_formula_sum   'Sc2 Ir1 Au1'
_cell_volume   74.97
_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  0.98  0.0  0.37  1.0
  Sc  Sc3  1  0.33  0.0  0.44  1.0
  Ir  Ir1  1  0.77  0.0  0.83  1.0
  Au  Au0  1  0.63  0.0  0.13  1.0

data_Sc2IrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.8
_cell_length_c   5.26
_cell_angle_alpha   100.92
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2IrAu
_chemical_formula_sum   'Sc2 Ir1 Au1'
_cell_volume   74.97
_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  0.37  0.98  1.0
  Sc  Sc1  1  0.0  0.44  0.33  1.0
  Ir  Ir2  1  0.0  0.83  0.77  1.0
  Au  Au3  1  0.0  0.13  0.63  1.0

Sc Sc Ir Au