data_[Tb2Hf2Be2N6]
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
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7598]
_cell_length_b [3.1933]
_cell_length_c [6.7925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbHfBeN3]
_chemical_formula_sum '[Tb2 Hf2 Be2 N6]'
_cell_volume [143.3405]
_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  2  0.2194  0.2500  0.1825  1.0
  Hf  Hf1  2  0.1727  0.2500  0.6599  1.0
  Be  Be2  2  0.4034  0.7500  0.9200  1.0
  N  N3  2  0.1454  0.7500  0.8771  1.0
  N  N4  2  0.1643  0.7500  0.4320  1.0
  N  N5  2  0.4869  0.2500  0.8294  1.0
]