data_YGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   8.69
_cell_angle_alpha   122.72
_cell_angle_beta   122.72
_cell_angle_gamma   35.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa
_chemical_formula_sum   'Y3 Ga3'
_cell_volume   144.25
_cell_formula_units_Z   3
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  Y3  1  0.76  0.0  0.87  1.0
  Y  Y4  1  0.13  0.0  0.92  1.0
  Y  Y5  1  0.17  0.0  0.24  1.0
  Ga  Ga0  1  0.4  0.0  0.15  1.0
  Ga  Ga1  1  0.12  0.0  0.12  1.0
  Ga  Ga2  1  0.76  0.0  0.21  1.0

data_YGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.89
_cell_length_c   7.41
_cell_angle_alpha   80.74
_cell_angle_beta   75.98
_cell_angle_gamma   72.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa
_chemical_formula_sum   'Y3 Ga3'
_cell_volume   144.25
_cell_formula_units_Z   3
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  Y0  1  0.0  0.22  0.92  1.0
  Y  Y1  1  0.0  0.89  0.87  1.0
  Y  Y2  1  0.0  0.93  0.24  1.0
  Ga  Ga3  1  0.0  0.24  0.15  1.0
  Ga  Ga4  1  0.0  0.56  0.21  1.0
  Ga  Ga5  1  0.0  0.99  0.12  1.0

Y Y Y Ga Ga Ga
Y Y Y Ga Ga Ga 0 1 + o o 0 4 + o + 1 4 o o + 1 3 o o + 2 4 o o o 2 3 o o o 2 5 - o o 3 4 o o o 3 5 o o o 