data_ScGa2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.43
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   93.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa2Ir
_chemical_formula_sum   'Sc1 Ga2 Ir1'
_cell_volume   68.41
_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  Sc3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.67  0.21  0.27  1.0
  Ga  Ga1  1  0.11  0.21  0.75  1.0
  Ir  Ir2  1  0.39  0.0  0.51  1.0

data_ScGa2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.43
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   93.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa2Ir
_chemical_formula_sum   'Sc1 Ga2 Ir1'
_cell_volume   68.41
_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  Sc0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.11  0.21  0.75  1.0
  Ga  Ga2  1  0.67  0.21  0.27  1.0
  Ir  Ir3  1  0.39  0.0  0.51  1.0

Sc Ga Ga Ir