data_[Tl4Co2I8]
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 [P2_1/m]
_cell_length_a [7.7695]
_cell_length_b [8.1050]
_cell_length_c [9.7400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2CoI4]
_chemical_formula_sum '[Tl4 Co2 I8]'
_cell_volume [581.9778]
_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  2  0.2187  0.7500  0.5513  1.0
  Tl  Tl1  2  0.2632  0.7500  0.0681  1.0
  Co  Co2  2  0.2207  0.2500  0.2986  1.0
  I  I3  4  0.0055  0.0008  0.2369  1.0
  I  I4  2  0.3990  0.2500  0.5714  1.0
  I  I5  2  0.4180  0.2500  0.1294  1.0
]