# generated using pymatgen
data_TlCoCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.92393453
_cell_length_b   11.92393381
_cell_length_c   5.92586096
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoCl3
_chemical_formula_sum   'Tl6 Co6 Cl18'
_cell_volume   729.66116362
_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  1  0.00000000  0.66655047  0.25060834  1.0
  Tl  Tl1  1  0.33344953  0.00000000  0.75060834  1.0
  Tl  Tl2  1  0.66655047  0.66655047  0.75060834  1.0
  Tl  Tl3  1  0.33344953  0.33344953  0.25060834  1.0
  Tl  Tl4  1  0.66655047  -0.00000000  0.25060834  1.0
  Tl  Tl5  1  -0.00000000  0.33344953  0.75060834  1.0
  Co  Co6  1  0.66666700  0.33333300  0.53709782  1.0
  Co  Co7  1  0.33333300  0.66666700  0.03709782  1.0
  Co  Co8  1  0.66666700  0.33333300  0.03709782  1.0
  Co  Co9  1  -0.00000000  -0.00000000  0.46179032  1.0
  Co  Co10  1  -0.00000000  -0.00000000  0.96179032  1.0
  Co  Co11  1  0.33333300  0.66666700  0.53709782  1.0
  Cl  Cl12  1  0.16168632  0.00000000  0.21038650  1.0
  Cl  Cl13  1  0.17180140  0.66688966  0.78782175  1.0
  Cl  Cl14  1  0.82819860  0.49508826  0.78782175  1.0
  Cl  Cl15  1  0.50491174  0.17180140  0.28782175  1.0
  Cl  Cl16  1  0.33311034  0.50491174  0.78782175  1.0
  Cl  Cl17  1  0.49508826  0.82819860  0.78782175  1.0
  Cl  Cl18  1  0.50491174  0.33311034  0.78782175  1.0
  Cl  Cl19  1  0.49508826  0.66688966  0.28782175  1.0
  Cl  Cl20  1  0.16168632  0.16168632  0.71038650  1.0
  Cl  Cl21  1  0.17180140  0.50491174  0.28782175  1.0
  Cl  Cl22  1  0.33311034  0.82819860  0.28782175  1.0
  Cl  Cl23  1  0.00000000  0.83831368  0.71038650  1.0
  Cl  Cl24  1  0.83831368  0.83831368  0.21038650  1.0
  Cl  Cl25  1  0.66688966  0.17180140  0.78782175  1.0
  Cl  Cl26  1  -0.00000000  0.16168632  0.21038650  1.0
  Cl  Cl27  1  0.83831368  -0.00000000  0.71038650  1.0
  Cl  Cl28  1  0.66688966  0.49508826  0.28782175  1.0
  Cl  Cl29  1  0.82819860  0.33311034  0.28782175  1.0