data_ScAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   136.17
_cell_angle_beta   136.17
_cell_angle_gamma   63.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlGa2
_chemical_formula_sum   'Sc1 Al1 Ga2'
_cell_volume   70.71
_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  0.98  0.0  0.25  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.98  0.25  1.0
  Ga  Ga2  1  0.0  0.0  0.51  1.0

data_ScAlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.31
_cell_angle_alpha   111.92
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlGa2
_chemical_formula_sum   'Sc1 Al1 Ga2'
_cell_volume   70.71
_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  0.25  0.27  0.27  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.27  0.25  0.27  1.0
  Ga  Ga3  1  0.51  0.51  0.51  1.0

Sc Al Ga Ga
Sc Al Ga Ga 0 2 + - o 0 1 + o o 0 3 + o o 1 2 o - o 2 3 o + o 