# generated using pymatgen
data_Li6ZrNb5Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36716023
_cell_length_b   6.13283249
_cell_length_c   13.10349377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00046925
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6ZrNb5Ir12
_chemical_formula_sum   'Li6 Zr1 Nb5 Ir12'
_cell_volume   350.95168807
_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  0.00000651  0.50000000  0.00039318  1.0
  Li  Li1  1  0.49992846  0.00000000  0.16798234  1.0
  Li  Li2  1  0.99994411  0.50000000  0.33329683  1.0
  Li  Li3  1  0.50000807  0.00000000  0.49891331  1.0
  Li  Li4  1  0.00006377  0.50000000  0.66625085  1.0
  Li  Li5  1  0.50006454  0.00000000  0.83326327  1.0
  Zr  Zr6  1  0.50007498  0.50000000  0.83331696  1.0
  Nb  Nb7  1  0.99999632  0.00000000  0.00046538  1.0
  Nb  Nb8  1  0.49992929  0.50000000  0.16704562  1.0
  Nb  Nb9  1  0.99990320  0.00000000  0.33332320  1.0
  Nb  Nb10  1  0.50000672  0.50000000  0.49956069  1.0
  Nb  Nb11  1  0.00009540  0.00000000  0.66622467  1.0
  Ir  Ir12  1  0.49999529  0.24673235  0.00391575  1.0
  Ir  Ir13  1  0.49999529  0.75326565  0.00391575  1.0
  Ir  Ir14  1  0.99993476  0.25053216  0.16774586  1.0
  Ir  Ir15  1  0.99993476  0.74946784  0.16774586  1.0
  Ir  Ir16  1  0.49990668  0.24958300  0.33333949  1.0
  Ir  Ir17  1  0.49990668  0.75041600  0.33333949  1.0
  Ir  Ir18  1  0.00000605  0.25051471  0.49890464  1.0
  Ir  Ir19  1  0.00000605  0.74948629  0.49890464  1.0
  Ir  Ir20  1  0.50007802  0.24680524  0.66274892  1.0
  Ir  Ir21  1  0.50007802  0.75319376  0.66274892  1.0
  Ir  Ir22  1  0.00007301  0.24232191  0.83332719  1.0
  Ir  Ir23  1  0.00007301  0.75767809  0.83332719  1.0