data_Al2GaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.56
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GaCo
_chemical_formula_sum   'Al2 Ga1 Co1'
_cell_volume   55.4
_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  0.46  0.78  0.09  1.0
  Al  Al1  1  0.46  0.78  0.25  1.0
  Ga  Ga3  1  0.0  0.0  0.67  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Al2GaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.56
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GaCo
_chemical_formula_sum   'Al2 Ga1 Co1'
_cell_volume   55.4
_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  0.46  0.78  0.09  1.0
  Al  Al1  1  0.46  0.78  0.25  1.0
  Ga  Ga2  1  0.0  0.0  0.67  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Al Al Ga Co
Al Al Ga Co 0 1 o o o 0 3 + + o 0 3 o + o 2 3 o o + 