data_[Tm6V6N12O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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_3/mmc]
_cell_length_a [5.3523]
_cell_length_b [5.3523]
_cell_length_c [13.3452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [TmVN2O]
_chemical_formula_sum '[Tm6 V6 N12 O6]'
_cell_volume [331.0768]
_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
[
  Tm  Tm0  4  0.3333  0.6667  0.6174  1
  Tm  Tm1  2  0.0000  0.0000  0.2500  1
  V  V2  4  0.3333  0.6667  0.1450  1
  V  V3  2  0.0000  0.0000  0.0000  1
  N  N4  12  0.1616  0.3232  0.0880  1
  O  O5  6  0.0117  0.5058  0.7500  1
]