data_[Li4Tb2Al2F16]
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
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5555]
_cell_length_b [6.7225]
_cell_length_c [6.4891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li2TbAlF8]
_chemical_formula_sum '[Li4 Tb2 Al2 F16]'
_cell_volume [285.9730]
_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  4  0.0000  0.5000  0.2238  1.0
  Tb  Tb1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.1920  0.0000  0.2115  1.0
  F  F4  4  0.0000  0.2689  0.0000  1.0
  F  F5  4  0.0000  0.3175  0.5000  1.0
]