# generated using pymatgen
data_LiSc2Al2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.41064602
_cell_length_b   12.41064602
_cell_length_c   12.41064622
_cell_angle_alpha   15.07101002
_cell_angle_beta   15.07101002
_cell_angle_gamma   15.07101112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Al2(CO)2
_chemical_formula_sum   'Li1 Sc2 Al2 C2 O2'
_cell_volume   112.56685259
_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  0.11790500  0.11790500  0.11790500  1
  Sc  Sc1  1  0.98858800  0.98858800  0.98858800  1
  Sc  Sc2  1  0.51788200  0.51788200  0.51788200  1
  Al  Al3  1  0.71535700  0.71535700  0.71535600  1
  Al  Al4  1  0.26276900  0.26276900  0.26276900  1
  C  C5  1  0.61554600  0.61554600  0.61554600  1
  C  C6  1  0.36154300  0.36154300  0.36154300  1
  O  O7  1  0.21189000  0.21189000  0.21189000  1
  O  O8  1  0.82102000  0.82102000  0.82101900  1
