# generated using pymatgen
data_NaTi2TlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46129397
_cell_length_b   5.46129397
_cell_length_c   5.63937782
_cell_angle_alpha   61.03922857
_cell_angle_beta   61.03922857
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2TlO6
_chemical_formula_sum   'Na1 Ti2 Tl1 O6'
_cell_volume   122.57510833
_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
  Na  Na0  1  0.99951400  0.99951400  0.00097100  1.0
  Ti  Ti1  1  0.75831200  0.25831200  0.48337600  1.0
  Ti  Ti2  1  0.25831200  0.75831200  0.48337600  1.0
  Tl  Tl3  1  0.47905600  0.47905600  0.04188900  1.0
  O  O4  1  0.03956800  0.53956800  0.92086300  1.0
  O  O5  1  0.53956800  0.03956800  0.92086300  1.0
  O  O6  1  0.04819300  0.04819300  0.41059600  1.0
  O  O7  1  0.54121200  0.54121200  0.41059600  1.0
  O  O8  1  0.54121200  0.04819300  0.41059600  1.0
  O  O9  1  0.04819300  0.54121200  0.41059600  1.0