data_[Tb2Hf2Ta2N6]
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
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6208]
_cell_length_b [3.2459]
_cell_length_c [8.3902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbHfTaN3]
_chemical_formula_sum '[Tb2 Hf2 Ta2 N6]'
_cell_volume [149.2437]
_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  0.3512  0.2500  0.3095  1.0
  Hf  Hf1  2  0.2331  0.7500  0.9522  1.0
  Ta  Ta2  2  0.1260  0.2500  0.6356  1.0
  N  N3  2  0.0397  0.7500  0.1542  1.0
  N  N4  2  0.2550  0.7500  0.5085  1.0
  N  N5  2  0.4409  0.2500  0.8414  1.0
]