data_[Al2Tl4C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [12.3344]
_cell_length_b [4.8277]
_cell_length_c [6.2407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTl2(CO3)2]
_chemical_formula_sum '[Al2 Tl4 C4 O12]'
_cell_volume [363.2707]
_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
[
  Al  Al0  2  0.0000  0.5000  0.5000  1
  Tl  Tl1  4  0.2109  0.5000  0.2090  1
  C  C2  4  0.0030  0.0000  0.2730  1
  O  O3  8  0.0510  0.2332  0.7084  1
  O  O4  4  0.1000  0.0000  0.2401  1
]