data_[Cs1Tl2C2O6]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3781]
_cell_length_b [5.6932]
_cell_length_c [8.4187]
_cell_angle_alpha [92.1738]
_cell_angle_beta [108.2585]
_cell_angle_gamma [115.8183]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTl2(CO3)2]
_chemical_formula_sum '[Cs1 Tl2 C2 O6]'
_cell_volume [215.7209]
_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  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  2  0.3636  0.6787  0.0730  1.0
  C  C2  2  0.1102  0.0728  0.2175  1.0
  O  O3  2  0.1057  0.8439  0.2238  1.0
  O  O4  2  0.1381  0.9143  0.8126  1.0
  O  O5  2  0.3524  0.2880  0.2431  1.0
]