data_[Ce12Pa4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.7940]
_cell_length_b [11.1128]
_cell_length_c [7.9010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3PaO7]
_chemical_formula_sum '[Ce12 Pa4 O28]'
_cell_volume [684.3373]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  8  0.2385  0.2411  0.2500  1
  Ce  Ce1  4  0.0000  0.5000  0.0000  1
  Pa  Pa2  4  0.0000  0.0000  0.0000  1
  O  O3  16  0.2176  0.1240  0.5223  1
  O  O4  4  0.0000  0.0973  0.2500  1
  O  O5  4  0.0000  0.3667  0.2500  1
  O  O6  4  0.0000  0.3683  0.7500  1
]