# generated using pymatgen
data_Tl2WCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97987234
_cell_length_b   6.97987284
_cell_length_c   6.97986908
_cell_angle_alpha   60.00001780
_cell_angle_beta   60.00001544
_cell_angle_gamma   59.99995987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2WCl6
_chemical_formula_sum   'Tl2 W1 Cl6'
_cell_volume   240.45136464
_cell_formula_units_Z   1
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  0.25000000  0.25000000  0.25000000  1.0
  Tl  Tl1  1  0.75000000  0.75000000  0.75000000  1.0
  W  W2  1  0.00000000  -0.00000000  -0.00000000  1.0
  Cl  Cl3  1  0.24086565  0.75913435  0.75913435  1.0
  Cl  Cl4  1  0.24086565  0.75913435  0.24086565  1.0
  Cl  Cl5  1  0.75913435  0.24086565  0.75913435  1.0
  Cl  Cl6  1  0.75913435  0.24086565  0.24086565  1.0
  Cl  Cl7  1  0.75913435  0.75913435  0.24086565  1.0
  Cl  Cl8  1  0.24086565  0.24086565  0.75913435  1.0