data_[Li2Tb2V2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9967]
_cell_length_b [4.9967]
_cell_length_c [9.9256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiTbVF6]
_chemical_formula_sum '[Li2 Tb2 V2 F12]'
_cell_volume [247.8098]
_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
[
  Li  Li0  2  0.0000  0.0000  0.9981  1.0
  Tb  Tb1  2  0.0000  0.0000  0.3329  1.0
  V  V2  2  0.0000  0.0000  0.6667  1.0
  F  F3  4  0.1878  0.8122  0.8337  1.0
  F  F4  4  0.2003  0.7997  0.1629  1.0
  F  F5  4  0.2006  0.7994  0.5046  1.0
]