# generated using pymatgen
data_KTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74774359
_cell_length_b   7.74774215
_cell_length_c   5.24842899
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl3
_chemical_formula_sum   'K2 Tl6'
_cell_volume   272.84144969
_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
  K  K0  1  0.66666700  0.33333300  0.25000000  1.0
  K  K1  1  0.33333300  0.66666700  0.75000000  1.0
  Tl  Tl2  1  0.85339480  0.14660320  0.75000000  1.0
  Tl  Tl3  1  0.29320841  0.14660320  0.75000000  1.0
  Tl  Tl4  1  0.85339480  0.70679059  0.75000000  1.0
  Tl  Tl5  1  0.14660420  0.85339680  0.25000000  1.0
  Tl  Tl6  1  0.70679059  0.85339580  0.25000000  1.0
  Tl  Tl7  1  0.14660420  0.29320941  0.25000000  1.0