data_[Tl6Co2I12]
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/c]
_cell_length_a [7.7680]
_cell_length_b [8.6980]
_cell_length_c [13.4199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3CoI6]
_chemical_formula_sum '[Tl6 Co2 I12]'
_cell_volume [772.5258]
_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  0.2954  0.0772  0.7561  1
  Tl  Tl1  2  0.5000  0.0000  0.5000  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  I  I3  4  0.1066  0.0509  0.2181  1
  I  I4  4  0.2200  0.7432  0.0645  1
  I  I5  4  0.3143  0.1592  0.0319  1
]