data_[Tb4Fe4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7956]
_cell_length_b [3.6493]
_cell_length_c [7.4497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbFeN3]
_chemical_formula_sum '[Tb4 Fe4 N12]'
_cell_volume [282.3436]
_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  0.1713  0.0000  0.8002  1
  Fe  Fe1  4  0.0459  0.5000  0.1605  1
  N  N2  4  0.1106  0.5000  0.3958  1
  N  N3  4  0.1300  0.5000  0.9744  1
  N  N4  4  0.1479  0.5000  0.5621  1
]