data_[Tb12N10O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0351]
_cell_length_b [10.4510]
_cell_length_c [6.0370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6N5O]
_chemical_formula_sum '[Tb12 N10 O2]'
_cell_volume [358.9428]
_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  8  0.2469  0.3309  0.7482  1
  Tb  Tb1  4  0.2462  0.5000  0.2542  1
  N  N2  4  0.0000  0.1676  0.5000  1
  N  N3  4  0.0000  0.3333  0.0000  1
  N  N4  2  0.0000  0.5000  0.5000  1
  O  O5  2  0.0000  0.0000  0.0000  1
]