# generated using pymatgen
data_Li(ScI3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41898841
_cell_length_b   7.41898858
_cell_length_c   13.64684840
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(ScI3)2
_chemical_formula_sum   'Li2 Sc4 I12'
_cell_volume   650.50769003
_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  0.33333300  0.66666700  0.87262884  1.0
  Li  Li1  1  0.66666700  0.33333300  0.37262884  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.12560368  1.0
  Sc  Sc3  1  0.00000000  0.00000000  0.37631183  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.62560368  1.0
  Sc  Sc5  1  0.00000000  0.00000000  0.87631183  1.0
  I  I6  1  0.00349357  0.68099270  0.00068918  1.0
  I  I7  1  0.32250238  0.00354893  0.25103937  1.0
  I  I8  1  0.99645107  0.31895345  0.25103937  1.0
  I  I9  1  0.31900730  0.32250087  0.00068918  1.0
  I  I10  1  0.32250087  0.31900730  0.50068918  1.0
  I  I11  1  0.67749913  0.99650643  0.00068918  1.0
  I  I12  1  0.31895345  0.99645107  0.75103937  1.0
  I  I13  1  0.68104655  0.67749762  0.25103937  1.0
  I  I14  1  0.67749762  0.68104655  0.75103937  1.0
  I  I15  1  0.99650643  0.67749913  0.50068918  1.0
  I  I16  1  0.68099270  0.00349357  0.50068918  1.0
  I  I17  1  0.00354893  0.32250238  0.75103937  1.0