data_[Mn4Tl4C8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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/c]
_cell_length_a [8.5759]
_cell_length_b [9.6854]
_cell_length_c [6.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnTl(CO3)2]
_chemical_formula_sum '[Mn4 Tl4 C8 O24]'
_cell_volume [526.6708]
_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
[
  Mn  Mn0  4  0.0000  0.3436  0.2500  1.0
  Tl  Tl1  4  0.0000  0.1011  0.7500  1.0
  C  C2  8  0.2065  0.3888  0.6990  1.0
  O  O3  8  0.0935  0.3214  0.5526  1.0
  O  O4  8  0.1591  0.1734  0.2022  1.0
  O  O5  8  0.1836  0.4865  0.2506  1.0
]