data_[Cs1Tl2Cu2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8988]
_cell_length_b [6.3740]
_cell_length_c [7.3967]
_cell_angle_alpha [65.8716]
_cell_angle_beta [66.9819]
_cell_angle_gamma [88.3711]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTl2(CuO3)2]
_chemical_formula_sum '[Cs1 Tl2 Cu2 O6]'
_cell_volume [230.7239]
_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
[
  Cs  Cs0  1  0.5000  0.5000  0.0000  1
  Tl  Tl1  2  0.2226  0.6056  0.5626  1
  Cu  Cu2  2  0.2204  0.0593  0.6998  1
  O  O3  2  0.1057  0.2939  0.5297  1
  O  O4  2  0.1310  0.7596  0.7872  1
  O  O5  2  0.3999  0.2711  0.7203  1
]