[CIF]
data_TlCoCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65182520
_cell_length_b   11.65182520
_cell_length_c   5.72260300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoCl3
_chemical_formula_sum   'Tl6 Co6 Cl18'
_cell_volume   672.84057191
_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
  Cl  Cl0  1  4.87959955  1.73482992  1.67515172  1
  Cl  Cl1  1  4.88851961  4.99750449  1.67515172  1
  Cl  Cl2  1  7.70961864  3.35844220  1.67515172  1
  Cl  Cl3  1  -1.88089025  6.71966799  4.41407326  1
  Cl  Cl4  1  0.94695454  5.10204388  4.41407326  1
  Cl  Cl5  1  0.93393571  8.35984137  4.41407326  1
  Cl  Cl6  1  6.77286714  4.98873273  4.41407326  1
  Cl  Cl7  1  3.94502234  3.37110863  4.41407326  1
  Cl  Cl8  1  1.88370604  6.73233442  1.67515172  1
  Cl  Cl9  1  -0.93739299  5.09327213  1.67515172  1
  Cl  Cl10  1  6.75984831  1.73093525  4.41407326  1
  Cl  Cl11  1  -0.94631305  8.35594670  1.67515172  1
  Cl  Cl12  1  -4.85911281  8.41623027  4.10071990  1
  Cl  Cl13  1  0.96679979  1.67454635  4.10071990  1
  Cl  Cl14  1  4.85148815  8.40302398  1.24034760  1
  Cl  Cl15  1  -0.97442444  1.68775264  1.24034760  1
  Cl  Cl16  1  9.71822562  0.00000000  4.10071990  1
  Cl  Cl17  1  1.94884889  0.00000000  1.24034760  1
  Co  Co18  1  5.82591260  3.36359221  0.16882035  1
  Co  Co19  1  0.00000000  6.72718441  3.03617467  1
  Co  Co20  1  5.82591260  3.36359221  3.03617467  1
  Co  Co21  1  0.00000000  6.72718441  0.16882035  1
  Co  Co22  1  0.00000000  0.00000000  2.66008902  1
  Co  Co23  1  0.00000000  0.00000000  5.57242500  1
  Tl  Tl24  1  -1.93654651  3.35419695  4.33742605  1
  Tl  Tl25  1  3.88936608  6.73657967  4.33742605  1
  Tl  Tl26  1  1.93645616  3.35404045  1.47893509  1
  Tl  Tl27  1  -3.88945644  6.73673617  1.47893509  1
  Tl  Tl28  1  3.87309303  0.00000000  4.33742605  1
  Tl  Tl29  1  7.77891288  0.00000000  1.47893509  1
[/CIF]
