data_[Hf2Tl2Fe2O8]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6199]
_cell_length_b [5.6863]
_cell_length_c [7.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfTlFeO4]
_chemical_formula_sum '[Hf2 Tl2 Fe2 O8]'
_cell_volume [238.3950]
_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  0.3337  0.7500  0.5320  1
  Tl  Tl1  2  0.2470  0.2500  0.8675  1
  Fe  Fe2  2  0.1506  0.2500  0.3360  1
  O  O3  4  0.4010  0.0153  0.3471  1
  O  O4  2  0.0191  0.2500  0.5694  1
  O  O5  2  0.1535  0.7500  0.7686  1
]