data_[Tb4Pa8Ru4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pa  1.5000  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3583]
_cell_length_b [13.6317]
_cell_length_c [10.2829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbPa2RuN5]
_chemical_formula_sum '[Tb4 Pa8 Ru4 N20]'
_cell_volume [470.7423]
_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
[
  Tb  Tb0  4  0.0000  0.1990  0.9978  1
  Pa  Pa1  4  0.0000  0.1053  0.6820  1
  Pa  Pa2  4  0.0000  0.1395  0.2948  1
  Ru  Ru3  4  0.0000  0.4775  0.4583  1
  N  N4  4  0.0000  0.0462  0.0844  1
  N  N5  4  0.0000  0.2812  0.6806  1
  N  N6  4  0.0000  0.3368  0.3448  1
  N  N7  4  0.0000  0.3692  0.0044  1
  N  N8  4  0.0000  0.4802  0.7768  1
]