data_[U1Pa2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8642]
_cell_length_b [3.8642]
_cell_length_c [9.4617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [UPa2O6]
_chemical_formula_sum '[U1 Pa2 O6]'
_cell_volume [122.3569]
_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
[
  U  U0  1  0.0000  0.0000  0.0000  1
  Pa  Pa1  2  0.3333  0.6667  0.6688  1
  O  O2  2  0.0000  0.0000  0.2557  1
  O  O3  2  0.3333  0.6667  0.9120  1
  O  O4  2  0.3333  0.6667  0.4170  1
]