data_[Th8Pa4Pd4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5771]
_cell_length_b [13.5727]
_cell_length_c [10.9028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2PaPdN5]
_chemical_formula_sum '[Th8 Pa4 Pd4 N20]'
_cell_volume [529.3419]
_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
[
  Th  Th0  4  0.0000  0.0985  0.6862  1
  Th  Th1  4  0.0000  0.1374  0.3023  1
  Pa  Pa2  4  0.0000  0.2011  0.0120  1
  Pd  Pd3  4  0.0000  0.4784  0.4499  1
  N  N4  4  0.0000  0.0557  0.0836  1
  N  N5  4  0.0000  0.2752  0.6583  1
  N  N6  4  0.0000  0.3265  0.3734  1
  N  N7  4  0.0000  0.3654  0.9915  1
  N  N8  4  0.0000  0.4847  0.7668  1
]