data_[Tb4Al4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [8.3612]
_cell_length_b [7.2794]
_cell_length_c [7.0335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbAlF5]
_chemical_formula_sum '[Tb4 Al4 F20]'
_cell_volume [396.9982]
_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
[
  Tb  Tb0  4  0.0000  0.4799  0.7500  1
  Al  Al1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0657  0.2227  0.9483  1
  F  F3  8  0.2269  0.0649  0.6263  1
  F  F4  4  0.0000  0.0949  0.2500  1
]