data_[Tl4Ni2C4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  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 [11.2366]
_cell_length_b [5.0243]
_cell_length_c [6.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ni(CO3)2]
_chemical_formula_sum '[Tl4 Ni2 C4 O12]'
_cell_volume [348.0695]
_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
[
  Tl  Tl0  4  0.1921  0.5000  0.1898  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  C  C2  4  0.0152  0.0000  0.3011  1
  O  O3  8  0.0523  0.2233  0.7302  1
  O  O4  4  0.1388  0.0000  0.3545  1
]