data_[Hf4Tl12F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.7691]
_cell_length_b [9.5614]
_cell_length_c [12.3072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [HfTl3F6]
_chemical_formula_sum '[Hf4 Tl12 F24]'
_cell_volume [914.2216]
_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
[
  Hf  Hf0  4  0.0000  0.0000  0.0000  1
  Tl  Tl1  8  0.2500  0.2500  0.2500  1
  Tl  Tl2  4  0.0000  0.0000  0.5000  1
  F  F3  16  0.1857  0.0000  0.8849  1
  F  F4  8  0.0000  0.2093  0.0000  1
]