data_[U6Pa4O18]
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 [I-4m2]
_cell_length_a [3.8540]
_cell_length_b [3.8540]
_cell_length_c [27.1931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [U3Pa2O9]
_chemical_formula_sum '[U6 Pa4 O18]'
_cell_volume [403.9078]
_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
[
  U  U0  4  0.0000  0.5000  0.6520  1
  U  U1  2  0.0000  0.5000  0.2500  1
  Pa  Pa2  4  0.0000  0.5000  0.0522  1
  O  O3  4  0.0000  0.0000  0.0958  1
  O  O4  4  0.0000  0.0000  0.1990  1
  O  O5  4  0.0000  0.0000  0.2995  1
  O  O6  4  0.0000  0.0000  0.4002  1
  O  O7  2  0.0000  0.0000  0.5000  1
]