data_[Tb4Hf8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2236]
_cell_length_b [10.6997]
_cell_length_c [10.4244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbHf2N4]
_chemical_formula_sum '[Tb4 Hf8 N16]'
_cell_volume [359.5566]
_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  0.3907  0.2500  1
  Hf  Hf1  8  0.0000  0.1319  0.0691  1
  N  N2  8  0.0000  0.2358  0.6147  1
  N  N3  4  0.0000  0.0467  0.2500  1
  N  N4  4  0.0000  0.5000  0.0000  1
]