data_[Tl2As1H1O4]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6884]
_cell_length_b [6.0221]
_cell_length_c [6.2603]
_cell_angle_alpha [113.6944]
_cell_angle_beta [91.4581]
_cell_angle_gamma [107.2940]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2AsHO4]
_chemical_formula_sum '[Tl2 As1 H1 O4]'
_cell_volume [152.3990]
_cell_formula_units_Z [1]
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  1  0.0112  0.5475  0.5523  1.0
  Tl  Tl1  1  0.8146  0.1487  0.8633  1.0
  As  As2  1  0.2318  0.9271  0.2291  1.0
  H  H3  1  0.6953  0.7396  0.0905  1.0
  O  O4  1  0.1965  0.2085  0.2477  1.0
  O  O5  1  0.3494  0.9323  0.4926  1.0
  O  O6  1  0.4457  0.8201  0.0140  1.0
  O  O7  1  0.8684  0.6763  0.1234  1.0
]