data_[Th4Pa8Rh4N20]
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
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4430]
_cell_length_b [13.9859]
_cell_length_c [10.3169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ThPa2RhN5]
_chemical_formula_sum '[Th4 Pa8 Rh4 N20]'
_cell_volume [496.7933]
_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  0.2017  0.9990  1
  Pa  Pa1  4  0.0000  0.0971  0.6829  1
  Pa  Pa2  4  0.0000  0.1309  0.2984  1
  Rh  Rh3  4  0.0000  0.4798  0.4558  1
  N  N4  4  0.0000  0.0483  0.0872  1
  N  N5  4  0.0000  0.2824  0.6850  1
  N  N6  4  0.0000  0.3461  0.3409  1
  N  N7  4  0.0000  0.3721  0.0049  1
  N  N8  4  0.0000  0.4783  0.7698  1
]