data_[Hf2Sn4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9975]
_cell_length_b [9.1056]
_cell_length_c [7.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfSn2F6]
_chemical_formula_sum '[Hf2 Sn4 F12]'
_cell_volume [305.0644]
_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  0.0000  1
  Sn  Sn1  4  0.0000  0.3380  0.5000  1
  F  F2  8  0.2200  0.3489  0.8410  1
  F  F3  4  0.1584  0.0000  0.7745  1
]