data_[Hf2Tl2S4O16]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1207]
_cell_length_b [5.6111]
_cell_length_c [7.9601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTl(SO4)2]
_chemical_formula_sum '[Hf2 Tl2 S4 O16]'
_cell_volume [407.1354]
_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
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.1494  0.5000  0.8043  1
  O  O3  8  0.0557  0.2830  0.8322  1
  O  O4  4  0.1995  0.5000  0.6331  1
  O  O5  4  0.2276  0.0000  0.0655  1
]