data_[Mg3Tl3C6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [R-3]
_cell_length_a [4.9762]
_cell_length_b [4.9762]
_cell_length_c [16.6775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [MgTl(CO3)2]
_chemical_formula_sum '[Mg3 Tl3 C6 O18]'
_cell_volume [357.6551]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  3  -0.0000  0.0000  0.5000  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  C  C2  6  0.0000  0.0000  0.2393  1
  O  O3  18  0.0501  0.6136  0.9069  1
]