data_[Tb4Ti8Ni4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.1121]
_cell_length_b [10.4724]
_cell_length_c [10.5718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbTi2NiN4]
_chemical_formula_sum '[Tb4 Ti8 Ni4 N16]'
_cell_volume [344.5478]
_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  0.1108  0.7500  1.0
  Ti  Ti1  8  0.0000  0.3679  0.5495  1.0
  Ni  Ni2  4  0.0000  0.1532  0.2500  1.0
  N  N3  8  0.0000  0.2687  0.1096  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
  N  N5  4  0.0000  0.4460  0.7500  1.0
]