# generated using pymatgen
data_LiSc4NiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45922665
_cell_length_b   4.54656003
_cell_length_c   9.12897606
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99996371
_cell_angle_gamma   89.99997512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc4NiIr2
_chemical_formula_sum   'Li2 Sc8 Ni2 Ir4'
_cell_volume   268.09302921
_cell_formula_units_Z   2
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  0.74999996  0.25000000  0.12442307  1.0
  Li  Li1  1  0.24999994  0.75000000  0.37556150  1.0
  Sc  Sc2  1  0.49647867  0.75000000  0.12022304  1.0
  Sc  Sc3  1  0.00351879  0.75000000  0.12022354  1.0
  Sc  Sc4  1  0.50352362  0.25000000  0.37976947  1.0
  Sc  Sc5  1  0.99647454  0.25000000  0.37977073  1.0
  Sc  Sc6  1  0.99760854  0.75000000  0.62924637  1.0
  Sc  Sc7  1  0.50239706  0.75000000  0.62924572  1.0
  Sc  Sc8  1  0.00239560  0.25000000  0.87074881  1.0
  Sc  Sc9  1  0.49760214  0.25000000  0.87074953  1.0
  Ni  Ni10  1  0.74999991  0.25000000  0.62646299  1.0
  Ni  Ni11  1  0.24999899  0.75000000  0.87359791  1.0
  Ir  Ir12  1  0.24999810  0.25000000  0.12473364  1.0
  Ir  Ir13  1  0.74999927  0.75000000  0.37526016  1.0
  Ir  Ir14  1  0.25000101  0.25000000  0.62418069  1.0
  Ir  Ir15  1  0.74999986  0.75000000  0.87580383  1.0