# generated using pymatgen
data_LiZrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42412890
_cell_length_b   4.42412890
_cell_length_c   4.42412890
_cell_angle_alpha   59.97325092
_cell_angle_beta   59.97325092
_cell_angle_gamma   59.97325092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrIr2
_chemical_formula_sum   'Li1 Zr1 Ir2'
_cell_volume   61.19343166
_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  0.24999900  0.24999900  0.24999900  1
  Zr  Zr1  1  0.75000300  0.75000300  0.75000300  1
  Ir  Ir2  1  -0.00004433  -0.00004433  -0.00004433  1
  Ir  Ir3  1  0.50004233  0.50004233  0.50004233  1
