data_[Tl4Co4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.5309]
_cell_length_b [11.9197]
_cell_length_c [12.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [TlCoI4]
_chemical_formula_sum '[Tl4 Co4 I16]'
_cell_volume [1080.9784]
_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  0.2434  0.2500  1
  Co  Co1  4  0.0621  0.5000  0.5000  1
  I  I2  8  0.1332  0.3292  0.9828  1
  I  I3  8  0.2432  0.0210  0.8305  1
]