data_[Hf2Tl2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.9497]
_cell_length_b [6.1626]
_cell_length_c [5.5191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [HfTlO4]
_chemical_formula_sum '[Hf2 Tl2 O8]'
_cell_volume [168.3465]
_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  0.1544  0.2500  1
  Tl  Tl1  2  0.5000  0.3275  0.7500  1
  O  O2  4  0.2111  0.1018  0.9301  1
  O  O3  4  0.2647  0.3748  0.3996  1
]