data_[Tl4Co4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0243]
_cell_length_b [13.3794]
_cell_length_c [8.4330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCo(CuI3)2]
_chemical_formula_sum '[Tl4 Co4 Cu8 I24]'
_cell_volume [1542.7380]
_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  0.0000  0.1778  0.2500  1
  Co  Co1  4  0.0000  0.1792  0.7500  1
  Cu  Cu2  8  0.1900  0.4466  0.1829  1
  I  I3  8  0.1147  0.0692  0.6700  1
  I  I4  8  0.1191  0.2716  0.0164  1
  I  I5  8  0.1468  0.4191  0.4462  1
]