data_[Pa6B2N4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0940]
_cell_length_b [10.7313]
_cell_length_c [3.6725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pa3B(NO3)2]
_chemical_formula_sum '[Pa6 B2 N4 O12]'
_cell_volume [318.9867]
_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  4  0.2500  0.2500  0.5000  1
  Pa  Pa1  2  0.0000  0.5000  0.0000  1
  B  B2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.0000  0.3670  0.5000  1
  O  O4  8  0.2408  0.3696  0.0000  1
  O  O5  4  0.0000  0.1172  0.5000  1
]