data_[Tb7N7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [18.5916]
_cell_length_b [3.3520]
_cell_length_c [18.5916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TbN]
_chemical_formula_sum '[Tb7 N7]'
_cell_volume [1003.3772]
_cell_formula_units_Z [7]
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  1  0.3256  0.0000  0.4279  1
  Tb  Tb1  1  0.3978  0.0000  0.6143  1
  Tb  Tb2  1  0.3996  0.0000  0.2943  1
  Tb  Tb3  1  0.5114  0.5000  0.4872  1
  Tb  Tb4  1  0.5823  0.0000  0.6751  1
  Tb  Tb5  1  0.6052  0.0000  0.3823  1
  Tb  Tb6  1  0.7050  0.0000  0.5886  1
  N  N7  1  0.3244  0.5000  0.5131  1
  N  N8  1  0.3643  0.5000  0.3572  1
  N  N9  1  0.4703  0.0000  0.5333  1
  N  N10  1  0.5005  0.5000  0.6828  1
  N  N11  1  0.5030  0.5000  0.3297  1
  N  N12  1  0.6473  0.5000  0.6299  1
  N  N13  1  0.6633  0.5000  0.4842  1
]