data_ScInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.13
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInGa2
_chemical_formula_sum   'Sc1 In1 Ga2'
_cell_volume   82.78
_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
  In  In2  1  0.0  0.0  0.04  1.0
  Ga  Ga0  1  0.65  0.06  0.38  1.0
  Ga  Ga1  1  0.65  0.06  0.71  1.0

data_ScInGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.13
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInGa2
_chemical_formula_sum   'Sc1 In1 Ga2'
_cell_volume   82.78
_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
  In  In1  1  0.0  0.0  0.04  1.0
  Ga  Ga2  1  0.65  0.06  0.38  1.0
  Ga  Ga3  1  0.65  0.06  0.71  1.0

Sc In Ga Ga
Sc In Ga Ga 0 1 o o o 0 3 - o - 1 2 - o o 1 3 - o - 2 3 o o o 