data_[Tl8C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.1732]
_cell_length_b [5.5401]
_cell_length_c [7.9609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2CO3]
_chemical_formula_sum '[Tl8 C4 O12]'
_cell_volume [491.2949]
_cell_formula_units_Z [4]
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  4  0.1033  0.0000  0.3037  1.0
  Tl  Tl1  4  0.1322  0.5000  0.7834  1.0
  C  C2  4  0.1778  0.5000  0.2053  1.0
  O  O3  8  0.1772  0.2964  0.1207  1.0
  O  O4  4  0.1765  0.5000  0.3666  1.0
]