data_[Hf2Tl2In2F12]
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 [P4_2nm]
_cell_length_a [5.6728]
_cell_length_b [5.6728]
_cell_length_c [12.2712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [HfTlInF6]
_chemical_formula_sum '[Hf2 Tl2 In2 F12]'
_cell_volume [394.8941]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.3327  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0011  1.0
  In  In2  2  0.0000  0.0000  0.6793  1.0
  F  F3  4  0.1730  0.8270  0.4502  1.0
  F  F4  4  0.1739  0.8261  0.2133  1.0
  F  F5  4  0.2475  0.7525  0.8300  1.0
]