# generated using pymatgen
data_Li3Zr(SiIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97960155
_cell_length_b   6.69416680
_cell_length_c   6.79272355
_cell_angle_alpha   88.15848091
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Zr(SiIr)4
_chemical_formula_sum   'Li3 Zr1 Si4 Ir4'
_cell_volume   180.86548868
_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  0.25000000  0.00313102  0.33400750  1.0
  Li  Li1  1  0.25000000  0.51867003  0.18637539  1.0
  Li  Li2  1  0.75000000  0.98990168  0.65694070  1.0
  Zr  Zr3  1  0.75000000  0.49477494  0.83815585  1.0
  Si  Si4  1  0.25000000  0.28574806  0.61406879  1.0
  Si  Si5  1  0.25000000  0.80848730  0.86652186  1.0
  Si  Si6  1  0.75000000  0.70538825  0.37168457  1.0
  Si  Si7  1  0.75000000  0.19257317  0.13704852  1.0
  Ir  Ir8  1  0.25000000  0.15701519  0.94485081  1.0
  Ir  Ir9  1  0.25000000  0.64567487  0.56363346  1.0
  Ir  Ir10  1  0.75000000  0.84754846  0.05103414  1.0
  Ir  Ir11  1  0.75000000  0.35108602  0.43567940  1.0