# generated using pymatgen
data_KTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94747996
_cell_length_b   10.94747996
_cell_length_c   8.03629956
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.13983952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl
_chemical_formula_sum   'K12 Tl12'
_cell_volume   962.93836336
_cell_formula_units_Z   12
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  0.97208283  0.47208283  0.75000000  1.0
  K  K1  1  0.52791717  0.02791717  0.25000000  1.0
  K  K2  1  0.02791717  0.52791717  0.25000000  1.0
  K  K3  1  0.47208283  0.97208283  0.75000000  1.0
  K  K4  1  0.17951200  0.82048800  0.00000000  1.0
  K  K5  1  0.32048800  0.67951200  0.50000000  1.0
  K  K6  1  0.82048800  0.17951200  0.00000000  1.0
  K  K7  1  0.67951200  0.32048800  0.50000000  1.0
  K  K8  1  0.20043878  0.20043878  0.07414347  1.0
  K  K9  1  0.29956122  0.29956122  0.57414347  1.0
  K  K10  1  0.70043878  0.70043878  0.42585653  1.0
  K  K11  1  0.79956122  0.79956122  0.92585653  1.0
  Tl  Tl12  1  0.53784712  0.53784712  0.78049005  1.0
  Tl  Tl13  1  0.96215288  0.96215288  0.28049005  1.0
  Tl  Tl14  1  0.46215288  0.46215288  0.21950995  1.0
  Tl  Tl15  1  0.03784712  0.03784712  0.71950995  1.0
  Tl  Tl16  1  0.49330480  0.72007961  0.06433556  1.0
  Tl  Tl17  1  0.00669520  0.77992039  0.56433556  1.0
  Tl  Tl18  1  0.27992039  0.50669520  0.93566444  1.0
  Tl  Tl19  1  0.22007961  0.99330480  0.43566444  1.0
  Tl  Tl20  1  0.50669520  0.27992039  0.93566444  1.0
  Tl  Tl21  1  0.99330480  0.22007961  0.43566444  1.0
  Tl  Tl22  1  0.72007961  0.49330480  0.06433556  1.0
  Tl  Tl23  1  0.77992039  0.00669520  0.56433556  1.0