data_YCdGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdGa2
_chemical_formula_sum   'Y1 Cd1 Ga2'
_cell_volume   87.93
_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  0.0  0.0  0.46  1.0
  Ga  Ga1  1  0.33  0.0  0.02  1.0
  Ga  Ga2  1  0.33  0.0  0.89  1.0

data_YCdGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCdGa2
_chemical_formula_sum   'Y1 Cd1 Ga2'
_cell_volume   87.93
_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  0.0  0.0  0.46  1.0
  Ga  Ga2  1  0.33  0.0  0.02  1.0
  Ga  Ga3  1  0.33  0.0  0.89  1.0

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