data_[Tb8Fe4N8]
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 [10.6303]
_cell_length_b [4.9335]
_cell_length_c [6.5457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2FeN2]
_chemical_formula_sum '[Tb8 Fe4 N8]'
_cell_volume [296.5214]
_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  0.0435  0.0000  0.2840  1
  Tb  Tb1  4  0.1798  0.5000  0.1028  1
  Fe  Fe2  4  0.1273  0.5000  0.6144  1
  N  N3  4  0.0148  0.5000  0.2785  1
  N  N4  4  0.1779  0.0000  0.0918  1
]