data_SrAl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   6.5
_cell_angle_alpha   109.1
_cell_angle_beta   109.1
_cell_angle_gamma   58.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Ga
_chemical_formula_sum   'Sr1 Al2 Ga1'
_cell_volume   99.57
_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
  Sr  Sr3  1  0.61  0.0  0.01  1.0
  Al  Al0  1  0.09  0.0  0.2  1.0
  Al  Al1  1  0.13  0.0  0.82  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_SrAl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.4
_cell_length_c   6.5
_cell_angle_alpha   109.1
_cell_angle_beta   90.0
_cell_angle_gamma   119.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Ga
_chemical_formula_sum   'Sr1 Al2 Ga1'
_cell_volume   99.57
_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
  Sr  Sr0  1  0.0  0.39  0.99  1.0
  Al  Al1  1  0.0  0.87  0.18  1.0
  Al  Al2  1  0.0  0.91  0.8  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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