data_[Tb6V6N12O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [6.0950]
_cell_length_b [6.0950]
_cell_length_c [11.7409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [TbVN2O]
_chemical_formula_sum '[Tb6 V6 N12 O6]'
_cell_volume [377.7340]
_cell_formula_units_Z [6]
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  0.3333  0.6667  0.2274  1
  Tb  Tb1  2  0.0000  0.0000  0.2821  1
  V  V2  6  0.0000  0.3350  0.0010  1
  N  N3  6  0.0000  0.2982  0.1542  1
  N  N4  6  0.0000  0.3676  0.8506  1
  O  O5  4  0.3333  0.6667  0.0200  1
  O  O6  2  0.0000  0.0000  0.4794  1
]