data_[Tb8Nb4Cr4N20]
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
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2431]
_cell_length_b [13.2012]
_cell_length_c [10.0755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2NbCrN5]
_chemical_formula_sum '[Tb8 Nb4 Cr4 N20]'
_cell_volume [431.3546]
_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  0.1112  0.6956  1.0
  Tb  Tb1  4  0.0000  0.1416  0.3010  1.0
  Nb  Nb2  4  0.0000  0.2167  0.0115  1.0
  Cr  Cr3  4  0.0000  0.4761  0.4591  1.0
  N  N4  4  0.0000  0.0411  0.0396  1.0
  N  N5  4  0.0000  0.2865  0.6534  1.0
  N  N6  4  0.0000  0.3196  0.3747  1.0
  N  N7  4  0.0000  0.3663  0.0006  1.0
  N  N8  4  0.0000  0.4918  0.7883  1.0
]