data_[Tb6Hf2N8]
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 [Cmmm]
_cell_length_a [6.8510]
_cell_length_b [9.6384]
_cell_length_c [3.4021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb3HfN4]
_chemical_formula_sum '[Tb6 Hf2 N8]'
_cell_volume [224.6502]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.0000  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.0000  0.2383  0.5000  1
  N  N4  4  0.2311  0.0000  0.0000  1
]