data_[Tb8Mo4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7782]
_cell_length_b [4.9997]
_cell_length_c [6.6206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2MoN2]
_chemical_formula_sum '[Tb8 Mo4 N8]'
_cell_volume [318.5555]
_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  0.0269  0.0000  0.2707  1
  Tb  Tb1  4  0.1764  0.5000  0.1061  1
  Mo  Mo2  4  0.1353  0.5000  0.6063  1
  N  N3  4  0.0054  0.5000  0.2594  1
  N  N4  4  0.1760  0.0000  0.0935  1
]