# generated using pymatgen
data_Li5Ti6NbIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30710950
_cell_length_b   6.02718673
_cell_length_c   12.86869286
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99928560
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Ti6NbIr12
_chemical_formula_sum   'Li5 Ti6 Nb1 Ir12'
_cell_volume   334.06809108
_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  0.49975070  0.50000000  0.16891709  1.0
  Li  Li1  1  0.99965002  0.00000000  0.33521143  1.0
  Li  Li2  1  0.49999964  0.50000000  0.50001051  1.0
  Li  Li3  1  0.00034759  0.00000000  0.66480573  1.0
  Li  Li4  1  0.50025318  0.50000000  0.83107258  1.0
  Ti  Ti5  1  0.99999629  0.50000000  0.99998795  1.0
  Ti  Ti6  1  0.49981875  0.00000000  0.17946853  1.0
  Ti  Ti7  1  0.99977103  0.50000000  0.33996488  1.0
  Ti  Ti8  1  0.50000047  0.00000000  0.50000655  1.0
  Ti  Ti9  1  0.00023001  0.50000000  0.66003833  1.0
  Ti  Ti10  1  0.50017531  0.00000000  0.82053315  1.0
  Nb  Nb11  1  0.99999298  0.00000000  0.00000436  1.0
  Ir  Ir12  1  0.49999523  0.25333454  0.99998946  1.0
  Ir  Ir13  1  0.49999523  0.74666546  0.99998946  1.0
  Ir  Ir14  1  0.99980685  0.25367856  0.16852486  1.0
  Ir  Ir15  1  0.99980685  0.74632044  0.16852486  1.0
  Ir  Ir16  1  0.49976159  0.25233934  0.33521107  1.0
  Ir  Ir17  1  0.49976159  0.74766166  0.33521107  1.0
  Ir  Ir18  1  0.00000066  0.24779016  0.50000818  1.0
  Ir  Ir19  1  0.00000066  0.75220884  0.50000818  1.0
  Ir  Ir20  1  0.50024263  0.25235081  0.66479856  1.0
  Ir  Ir21  1  0.50024263  0.74765019  0.66479856  1.0
  Ir  Ir22  1  0.00019506  0.25367722  0.83145633  1.0
  Ir  Ir23  1  0.00019506  0.74632178  0.83145633  1.0