data_[Tl2Cu4H2Se4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9090]
_cell_length_b [6.2104]
_cell_length_c [9.1361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCu2H(SeO5)2]
_chemical_formula_sum '[Tl2 Cu4 H2 Se4 O20]'
_cell_volume [464.0417]
_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  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.2500  0.2500  0.5000  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  4  0.0451  0.5000  0.7494  1.0
  O  O4  8  0.0765  0.2736  0.2940  1.0
  O  O5  4  0.1498  0.0000  0.5399  1.0
  O  O6  4  0.1530  0.5000  0.9435  1.0
  O  O7  4  0.1570  0.5000  0.6410  1.0
]