data_PaO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaO
_chemical_formula_sum   'Pa2 O2'
_cell_volume   77.07
_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
  Pa  Pa2  1  0.87  0.08  0.49  1.0
  Pa  Pa3  1  0.0  0.16  0.31  1.0
  O  O0  1  0.87  0.08  0.24  1.0
  O  O1  1  0.0  0.16  0.07  1.0

data_PaO
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaO
_chemical_formula_sum   'Pa2 O2'
_cell_volume   77.07
_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
  Pa  Pa0  1  -0.0  0.16  0.31  1.0
  Pa  Pa1  1  0.87  0.08  0.49  1.0
  O  O2  1  -0.0  0.16  0.07  1.0
  O  O3  1  0.87  0.08  0.24  1.0

Pa Pa O O