data_YGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.33
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Cu
_chemical_formula_sum   'Y1 Ga2 Cu1'
_cell_volume   72.56
_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  0.44  1.0
  Ga  Ga1  1  0.58  0.66  0.37  1.0
  Ga  Ga2  1  0.58  0.66  0.51  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_YGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.33
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Cu
_chemical_formula_sum   'Y1 Ga2 Cu1'
_cell_volume   72.56
_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  0.44  1.0
  Ga  Ga1  1  0.58  0.66  0.37  1.0
  Ga  Ga2  1  0.58  0.66  0.51  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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