data_[Hf1Tl1In2F8]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5111]
_cell_length_b [5.9023]
_cell_length_c [7.1510]
_cell_angle_alpha [92.8480]
_cell_angle_beta [92.8200]
_cell_angle_gamma [93.0852]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfTlIn2F8]
_chemical_formula_sum '[Hf1 Tl1 In2 F8]'
_cell_volume [231.6679]
_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  1  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.4835  0.5182  0.2351  1.0
  F  F3  2  0.1479  0.7542  0.1448  1.0
  F  F4  2  0.1514  0.2386  0.1925  1.0
  F  F5  2  0.2896  0.0373  0.8443  1.0
  F  F6  2  0.3730  0.6739  0.5063  1.0
]