# generated using pymatgen
data_LiZrNi3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94804151
_cell_length_b   4.94804114
_cell_length_c   4.94804142
_cell_angle_alpha   57.62706967
_cell_angle_beta   57.62707152
_cell_angle_gamma   57.62706834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrNi3Ir
_chemical_formula_sum   'Li1 Zr1 Ni3 Ir1'
_cell_volume   80.98937925
_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  0.50371482  0.50371482  0.50371482  1.0
  Zr  Zr1  1  0.75045381  0.75045381  0.75045381  1.0
  Ni  Ni2  1  0.62241729  0.12406144  0.12406144  1.0
  Ni  Ni3  1  0.12406144  0.62241729  0.12406144  1.0
  Ni  Ni4  1  0.12406144  0.12406144  0.62241729  1.0
  Ir  Ir5  1  0.12529220  0.12529220  0.12529220  1.0