# generated using pymatgen
data_TlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.66906039
_cell_length_b   17.66906039
_cell_length_c   13.43654351
_cell_angle_alpha   80.52130640
_cell_angle_beta   80.52130640
_cell_angle_gamma   34.09055223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCl2
_chemical_formula_sum   'Tl2 Cl4'
_cell_volume   2316.07130840
_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  1  0.03292300  0.03292300  0.70838400  1.0
  Tl  Tl1  1  0.96707700  0.96707700  0.29161600  1.0
  Cl  Cl2  1  0.10211400  0.10211400  0.60027500  1.0
  Cl  Cl3  1  0.89788600  0.89788600  0.39972500  1.0
  Cl  Cl4  1  0.53181800  0.53181800  0.70929300  1.0
  Cl  Cl5  1  0.46818200  0.46818200  0.29070700  1.0