# generated using pymatgen
data_NaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57702083
_cell_length_b   9.57702083
_cell_length_c   7.66829380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.80333370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl
_chemical_formula_sum   'Na12 Tl12'
_cell_volume   702.48907411
_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
  Na  Na0  1  0.94177797  0.55822203  0.25000000  1.0
  Na  Na1  1  0.55822203  0.94177797  0.75000000  1.0
  Na  Na2  1  0.05822203  0.44177797  0.75000000  1.0
  Na  Na3  1  0.44177797  0.05822203  0.25000000  1.0
  Na  Na4  1  0.15618803  0.15618803  0.00000000  1.0
  Na  Na5  1  0.65618803  0.65618803  0.50000000  1.0
  Na  Na6  1  0.84381197  0.84381197  0.00000000  1.0
  Na  Na7  1  0.34381197  0.34381197  0.50000000  1.0
  Na  Na8  1  0.21087754  0.78912246  0.93923173  1.0
  Na  Na9  1  0.78912246  0.21087754  0.06076827  1.0
  Na  Na10  1  0.28912346  0.71087754  0.43923173  1.0
  Na  Na11  1  0.71087754  0.28912346  0.56076827  1.0
  Tl  Tl12  1  0.24963834  0.47213116  0.11966938  1.0
  Tl  Tl13  1  0.47213116  0.24963834  0.88033062  1.0
  Tl  Tl14  1  0.97213116  0.74963834  0.61966938  1.0
  Tl  Tl15  1  0.74963834  0.97213116  0.38033062  1.0
  Tl  Tl16  1  0.75036166  0.52786884  0.88033062  1.0
  Tl  Tl17  1  0.52786884  0.75036166  0.11966938  1.0
  Tl  Tl18  1  0.02786884  0.25036166  0.38033062  1.0
  Tl  Tl19  1  0.25036166  0.02786884  0.61966938  1.0
  Tl  Tl20  1  0.56734092  0.43265908  0.20587138  1.0
  Tl  Tl21  1  0.43265908  0.56734092  0.79412862  1.0
  Tl  Tl22  1  0.93265908  0.06734092  0.70587138  1.0
  Tl  Tl23  1  0.06734092  0.93265908  0.29412862  1.0