data_[Pa8Fe2O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.5333]
_cell_length_b [8.5333]
_cell_length_c [5.3986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pa4FeO10]
_chemical_formula_sum '[Pa8 Fe2 O20]'
_cell_volume [393.1061]
_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  8  0.1023  0.2962  0.5000  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  O  O2  16  0.1006  0.7966  0.2539  1
  O  O3  4  0.0000  0.5000  0.2500  1
]