data_PuMoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   55.77
_cell_angle_beta   55.77
_cell_angle_gamma   55.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuMoO3
_chemical_formula_sum   'Pu2 Mo2 O6'
_cell_volume   139.87
_cell_formula_units_Z   2
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  Pu8  1  0.0  0.0  0.03  1.0
  Pu  Pu9  1  0.0  0.0  0.2  1.0
  Mo  Mo0  1  0.0  0.0  0.24  1.0
  Mo  Mo1  1  0.0  0.0  0.99  1.0
  O  O2  1  0.34  0.73  0.24  1.0
  O  O3  1  0.83  0.57  0.24  1.0
  O  O4  1  0.82  0.71  0.24  1.0
  O  O5  1  0.18  0.29  0.99  1.0
  O  O6  1  0.17  0.43  0.99  1.0
  O  O7  1  0.66  0.27  0.99  1.0

data_PuMoO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.03
_cell_angle_alpha   62.12
_cell_angle_beta   62.12
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PuMoO3
_chemical_formula_sum   'Pu2 Mo2 O6'
_cell_volume   139.87
_cell_formula_units_Z   2
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  2  0.0  0.42  0.08  1.0
  Mo  Mo1  2  0.0  0.38  0.12  1.0
  O  O2  2  0.27  0.38  0.19  1.0
  O  O3  2  0.29  0.38  0.65  1.0
  O  O4  2  0.43  0.38  0.53  1.0

Pu Pu Mo Mo O O O O O O