# generated using pymatgen
data_LiTi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65135652
_cell_length_b   10.65135652
_cell_length_c   10.65135652
_cell_angle_alpha   120.43529149
_cell_angle_beta   119.98251125
_cell_angle_gamma   89.63900154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2Ir
_chemical_formula_sum   'Li1 Ti2 Ir1'
_cell_volume   851.74268021
_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  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  0.00000000  0.29155400  0.29155400  1
  Ti  Ti2  1  0.00000000  0.70844600  0.70844600  1
  Ir  Ir3  1  0.00000000  0.50000000  0.50000000  1
