data_[Tb4Hf8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hf  1.3000  1.5500  0.8500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.7469]
_cell_length_b [9.9312]
_cell_length_c [10.7299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [TbHf2F11]
_chemical_formula_sum '[Tb4 Hf8 F44]'
_cell_volume [825.5133]
_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  0.5000  0.2500  1
  Hf  Hf1  8  0.1369  0.1817  0.5000  1
  F  F2  16  0.1009  0.3186  0.3615  1
  F  F3  16  0.2315  0.4241  0.1322  1
  F  F4  8  0.1286  0.2176  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]