data_[Pa8Se8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5837]
_cell_length_b [7.8035]
_cell_length_c [14.1330]
_cell_angle_alpha [88.3573]
_cell_angle_beta [89.0280]
_cell_angle_gamma [78.9021]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PaSeO2]
_chemical_formula_sum '[Pa8 Se8 O16]'
_cell_volume [604.0074]
_cell_formula_units_Z [8]
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  2  0.0796  0.0805  0.1154  1
  Pa  Pa1  2  0.2661  0.2629  0.8260  1
  Pa  Pa2  2  0.2738  0.3979  0.5692  1
  Pa  Pa3  2  0.2942  0.4061  0.2946  1
  Se  Se4  2  0.1376  0.4555  0.0982  1
  Se  Se5  2  0.2807  0.9027  0.4332  1
  Se  Se6  2  0.3574  0.6104  0.8853  1
  Se  Se7  2  0.3673  0.0179  0.6199  1
  O  O8  2  0.0282  0.3792  0.7018  1
  O  O9  2  0.0482  0.3874  0.4348  1
  O  O10  2  0.1084  0.1227  0.9610  1
  O  O11  2  0.1264  0.0428  0.7885  1
  O  O12  2  0.2102  0.1798  0.2477  1
  O  O13  2  0.4037  0.8813  0.1263  1
  O  O14  2  0.4865  0.3858  0.7105  1
  O  O15  2  0.4929  0.5989  0.5709  1
]