data_[Tl6Co6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2334]
_cell_length_b [3.0727]
_cell_length_c [6.7476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCo]
_chemical_formula_sum '[Tl6 Co6]'
_cell_volume [232.5483]
_cell_formula_units_Z [6]
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  0.0117  0.0000  0.5940  1
  Tl  Tl1  2  0.0411  0.0000  0.1083  1
  Tl  Tl2  2  0.2763  0.5000  0.9279  1
  Co  Co3  2  0.2045  0.5000  0.3406  1
  Co  Co4  2  0.2726  0.0000  0.5872  1
  Co  Co5  2  0.3605  0.0000  0.2754  1
]