# generated using pymatgen
data_LiSc2(AsIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48364414
_cell_length_b   6.54816776
_cell_length_c   3.94821896
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.32976431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2(AsIr)3
_chemical_formula_sum   'Li1 Sc2 As3 Ir3'
_cell_volume   144.68319442
_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  0.43236447  0.50000000  1.0
  Sc  Sc1  1  0.58499343  0.58028992  0.50000000  1.0
  Sc  Sc2  1  0.41500657  0.99529749  0.50000000  1.0
  As  As3  1  0.67844286  0.33209198  0.00000000  1.0
  As  As4  1  0.32155714  0.65364912  0.00000000  1.0
  As  As5  1  1.00000000  0.02425391  0.50000000  1.0
  Ir  Ir6  1  0.00000000  0.75578599  0.00000000  1.0
  Ir  Ir7  1  0.25220965  0.23923838  0.00000000  1.0
  Ir  Ir8  1  0.74779035  0.98702773  0.00000000  1.0