data_PuGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuGa
_chemical_formula_sum   'Pu1 Ga1'
_cell_volume   43.88
_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
  Pu  Pu1  1  0.59  0.92  0.5  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_PuGa
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.18
_cell_length_b   5.01
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   PuGa
_chemical_formula_sum   'Pu1 Ga1'
_cell_volume   43.88
_cell_formula_units_Z   1
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
  Pu  Pu0  1  0.59  0.0  0.92  1.0
  Ga  Ga1  1  0.0  0.5  0.0  1.0

Pu Ga
Pu Ga 0 1 o o o 0 1 o o + 0 1 o + o 0 1 o + + 0 1 + + o 0 1 + + + 0 0 + + o 0 0 o + o 0 0 + o o 1 1 + + o 1 1 o + o 1 1 + o o 