data_YGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.1
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa
_chemical_formula_sum   'Y2 Ga2'
_cell_volume   95.91
_cell_formula_units_Z   2
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
  Y  Y2  1  0.99  0.07  0.53  1.0
  Y  Y3  1  0.22  0.02  0.91  1.0
  Ga  Ga0  1  0.09  0.07  0.63  1.0
  Ga  Ga1  1  0.12  0.02  0.81  1.0

data_YGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.1
_cell_length_b   4.3
_cell_length_c   5.83
_cell_angle_alpha   111.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YGa
_chemical_formula_sum   'Y2 Ga2'
_cell_volume   95.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  2  0.48  0.61  0.19  1.0
  Ga  Ga1  2  0.48  0.51  0.09  1.0

Y Y Ga Ga
Y Y Ga Ga 0 2 + o o 1 3 o o o 