# generated using pymatgen
data_Li6Ta5TiIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32556961
_cell_length_b   6.07411873
_cell_length_c   12.96926200
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99995483
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ta5TiIr12
_chemical_formula_sum   'Li6 Ta5 Ti1 Ir12'
_cell_volume   340.75469301
_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
  Li  Li0  1  0.00000000  0.50000000  0.00000000  1.0
  Li  Li1  1  0.49996409  0.00000000  0.16593914  1.0
  Li  Li2  1  0.99993247  0.50000000  0.33166671  1.0
  Li  Li3  1  0.49999900  0.00000000  0.50000000  1.0
  Li  Li4  1  0.00006853  0.50000000  0.66833329  1.0
  Li  Li5  1  0.50003691  0.00000000  0.83406086  1.0
  Ta  Ta6  1  0.49995582  0.50000000  0.16394763  1.0
  Ta  Ta7  1  0.99991788  0.00000000  0.33187560  1.0
  Ta  Ta8  1  0.49999900  0.50000000  0.50000000  1.0
  Ta  Ta9  1  0.00008112  0.00000000  0.66812440  1.0
  Ta  Ta10  1  0.50004618  0.50000000  0.83605237  1.0
  Ti  Ti11  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir12  1  0.49999900  0.24531603  0.00000000  1.0
  Ir  Ir13  1  0.49999900  0.75468297  0.00000000  1.0
  Ir  Ir14  1  0.99994493  0.24812447  0.16505164  1.0
  Ir  Ir15  1  0.99994493  0.75187453  0.16505164  1.0
  Ir  Ir16  1  0.49988566  0.25033642  0.33267201  1.0
  Ir  Ir17  1  0.49988566  0.74966458  0.33267201  1.0
  Ir  Ir18  1  0.00000000  0.24994580  0.50000000  1.0
  Ir  Ir19  1  0.00000000  0.75005420  0.50000000  1.0
  Ir  Ir20  1  0.50011534  0.25033642  0.66732799  1.0
  Ir  Ir21  1  0.50011534  0.74966458  0.66732799  1.0
  Ir  Ir22  1  0.00005407  0.24812447  0.83494836  1.0
  Ir  Ir23  1  0.00005407  0.75187453  0.83494836  1.0