# generated using pymatgen
data_LiSc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61510143
_cell_length_b   4.61510145
_cell_length_c   4.61510136
_cell_angle_alpha   60.00094884
_cell_angle_beta   60.00094899
_cell_angle_gamma   60.00094732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Ir
_chemical_formula_sum   'Li1 Sc2 Ir1'
_cell_volume   69.50852712
_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  0.75000077  0.75000078  0.75000077  1
  Sc  Sc1  1  0.00000032  0.00000032  0.00000032  1
  Sc  Sc2  1  0.49999895  0.49999895  0.49999895  1
  Ir  Ir3  1  0.24999996  0.24999994  0.24999995  1
