data_[Tl4As2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4321]
_cell_length_b [6.0294]
_cell_length_c [7.5265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2AsO4]
_chemical_formula_sum '[Tl4 As2 O8]'
_cell_volume [281.6482]
_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  0.1990  0.7500  0.4027  1.0
  Tl  Tl1  2  0.2834  0.7500  0.9269  1.0
  As  As2  2  0.2281  0.2500  0.1435  1.0
  O  O3  4  0.4013  0.0214  0.1768  1.0
  O  O4  2  0.0557  0.2500  0.9270  1.0
  O  O5  2  0.0756  0.2500  0.3023  1.0
]