data_[Hf1Tl2Pb1F8]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8737]
_cell_length_b [6.7456]
_cell_length_c [8.1658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [HfTl2PbF8]
_chemical_formula_sum '[Hf1 Tl2 Pb1 F8]'
_cell_volume [213.3735]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.5000  0.5000  0.2467  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0000  0.1875  0.2004  1.0
  F  F4  2  0.5000  0.1692  0.0000  1.0
  F  F5  2  0.5000  0.2356  0.5000  1.0
]