data_[Pa12B4N24]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.0199]
_cell_length_b [11.3831]
_cell_length_c [5.1180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa3BN6]
_chemical_formula_sum '[Pa12 B4 N24]'
_cell_volume [525.4844]
_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  8  0.1916  0.1143  0.5373  1
  Pa  Pa1  4  0.0000  0.3908  0.5711  1
  B  B2  4  0.0000  0.1979  0.9652  1
  N  N3  8  0.1416  0.2645  0.8352  1
  N  N4  8  0.1591  0.4852  0.3008  1
  N  N5  4  0.0000  0.0693  0.8373  1
  N  N6  4  0.0000  0.2084  0.2944  1
]