data_[Tb6Ce4Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9795]
_cell_length_b [10.3510]
_cell_length_c [5.9476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ce2TaN6]
_chemical_formula_sum '[Tb6 Ce4 Ta2 N12]'
_cell_volume [347.0848]
_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  0.0000  0.1649  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3336  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2315  0.1545  0.2313  1.0
  N  N5  4  0.2299  0.0000  0.7608  1.0
]