data_[Na4Tb4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0780]
_cell_length_b [4.1978]
_cell_length_c [6.5118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTbF3]
_chemical_formula_sum '[Na4 Tb4 F12]'
_cell_volume [335.6742]
_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
[
  Na  Na0  4  0.1173  0.0000  0.8253  1
  Tb  Tb1  4  0.1009  0.5000  0.3080  1
  F  F2  4  0.0816  0.5000  0.9293  1
  F  F3  4  0.0937  0.0000  0.1912  1
  F  F4  4  0.2229  0.0000  0.6202  1
]