data_[Th8U4Pd4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  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 [3.4837]
_cell_length_b [14.0525]
_cell_length_c [10.6252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2UPdN5]
_chemical_formula_sum '[Th8 U4 Pd4 N20]'
_cell_volume [520.1523]
_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  0.1043  0.6806  1
  Th  Th1  4  0.0000  0.1277  0.3056  1
  U  U2  4  0.0000  0.1991  0.0068  1
  Pd  Pd3  4  0.0000  0.4774  0.4671  1
  N  N4  4  0.0000  0.0539  0.0789  1
  N  N5  4  0.0000  0.2823  0.6435  1
  N  N6  4  0.0000  0.2971  0.3714  1
  N  N7  4  0.0000  0.3508  0.9991  1
  N  N8  4  0.0000  0.4955  0.7709  1
]