data_PuPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   70.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuPd3
_chemical_formula_sum   'Pu1 Pd3'
_cell_volume   71.16
_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  Pu0  1  0.0  0.0  0.14  1.0
  Pd  Pd1  1  0.07  0.0  0.07  1.0
  Pd  Pd2  1  0.0  0.07  0.07  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_PuPd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   125.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PuPd3
_chemical_formula_sum   'Pu2 Pd6'
_cell_volume   142.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.5  0.86  1.0
  Pd  Pd1  4  0.47  0.46  0.01  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Pu Pd Pd Pd
Pu Pd Pd Pd 0 2 o o o 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o o 