data_[Tl2Zn2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6058]
_cell_length_b [5.1177]
_cell_length_c [8.5938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlZnSO4]
_chemical_formula_sum '[Tl2 Zn2 S2 O8]'
_cell_volume [246.0585]
_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
[
  Tl  Tl0  2  0.2617  0.7500  0.1314  1
  Zn  Zn1  2  0.3587  0.2500  0.5514  1
  S  S2  2  0.1076  0.7500  0.7212  1
  O  O3  4  0.2610  0.5112  0.7354  1
  O  O4  2  0.0323  0.2500  0.4308  1
  O  O5  2  0.0545  0.2500  0.1464  1
]