data_[Hf2Tl2Ag4F16]
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
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9673]
_cell_length_b [7.3174]
_cell_length_c [7.9867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTlAg2F8]
_chemical_formula_sum '[Hf2 Tl2 Ag4 F16]'
_cell_volume [458.2809]
_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  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0402  0.5000  0.7291  1.0
  F  F3  8  0.0099  0.1899  0.1826  1.0
  F  F4  4  0.1661  0.5000  0.4874  1.0
  F  F5  4  0.2424  0.5000  0.9628  1.0
]