data_Al2CrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.49
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrGa
_chemical_formula_sum   'Al2 Cr1 Ga1'
_cell_volume   58.33
_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
  Al  Al0  1  0.56  0.75  0.08  1.0
  Al  Al1  1  0.56  0.75  0.25  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.67  1.0

data_Al2CrGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.49
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrGa
_chemical_formula_sum   'Al2 Cr1 Ga1'
_cell_volume   58.33
_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
  Al  Al0  1  0.56  0.75  0.08  1.0
  Al  Al1  1  0.56  0.75  0.25  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.67  1.0

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