# generated using pymatgen
data_NaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14652799
_cell_length_b   6.14652799
_cell_length_c   6.33877207
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.79191405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl
_chemical_formula_sum   'Na4 Tl4'
_cell_volume   235.98885012
_cell_formula_units_Z   4
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  0.13906492  0.50656805  0.25000000  1.0
  Na  Na1  1  0.49343195  0.86093508  0.75000000  1.0
  Na  Na2  1  0.86093508  0.49343195  0.75000000  1.0
  Na  Na3  1  0.50656805  0.13906492  0.25000000  1.0
  Tl  Tl4  1  -0.00000000  0.00000000  0.50000000  1.0
  Tl  Tl5  1  -0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl6  1  0.65598634  0.65598634  0.25000000  1.0
  Tl  Tl7  1  0.34401366  0.34401366  0.75000000  1.0