data_YCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   4.5
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdGa2
_chemical_formula_sum   'Y1 Cd1 Ga2'
_cell_volume   88.55
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.65  0.0  0.95  1.0
  Ga  Ga1  1  0.57  0.25  0.54  1.0
  Ga  Ga2  1  0.72  0.25  0.35  1.0

data_YCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.5
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdGa2
_chemical_formula_sum   'Y1 Cd1 Ga2'
_cell_volume   88.55
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.65  0.0  0.95  1.0
  Ga  Ga2  1  0.57  0.25  0.54  1.0
  Ga  Ga3  1  0.72  0.25  0.35  1.0

Y Cd Ga Ga
Y Cd Ga Ga 0 1 - o - 2 3 o o o 