data_[Pa4Bi12O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [8.1218]
_cell_length_b [11.2854]
_cell_length_c [7.9746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [PaBi3O7]
_chemical_formula_sum '[Pa4 Bi12 O28]'
_cell_volume [730.9355]
_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
[
  Pa  Pa0  4  0.0007  0.0000  0.0000  1
  Bi  Bi1  8  0.2346  0.2442  0.7415  1
  Bi  Bi2  4  0.0396  0.5000  0.5000  1
  O  O3  8  0.1743  0.1324  0.4373  1
  O  O4  8  0.2170  0.1179  0.0398  1
  O  O5  4  0.0000  0.0788  0.7500  1
  O  O6  4  0.0000  0.3562  0.7500  1
  O  O7  4  0.0000  0.3745  0.2500  1
]