data_[Tb8Nb4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3058]
_cell_length_b [13.2698]
_cell_length_c [10.2810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2NbMoN5]
_chemical_formula_sum '[Tb8 Nb4 Mo4 N20]'
_cell_volume [451.0051]
_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  0.1093  0.6917  1.0
  Tb  Tb1  4  0.0000  0.1445  0.2935  1.0
  Nb  Nb2  4  0.0000  0.2202  0.0119  1.0
  Mo  Mo3  4  0.0000  0.4719  0.4618  1.0
  N  N4  4  0.0000  0.0478  0.0556  1.0
  N  N5  4  0.0000  0.2812  0.6501  1.0
  N  N6  4  0.0000  0.3179  0.3758  1.0
  N  N7  4  0.0000  0.3697  0.0007  1.0
  N  N8  4  0.0000  0.4896  0.7828  1.0
]