# generated using pymatgen
data_LiSc2Al2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47756468
_cell_length_b   10.47756468
_cell_length_c   10.32009618
_cell_angle_alpha   18.99128048
_cell_angle_beta   18.99128048
_cell_angle_gamma   20.67960912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Al2(CO)2
_chemical_formula_sum   'Li1 Sc2 Al2 C2 O2'
_cell_volume   110.39674860
_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  0.00000000  0.50000000  1
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc2  1  0.50000000  0.50000000  0.50000000  1
  Al  Al3  1  0.70552000  0.70552000  0.79444500  1
  Al  Al4  1  0.29448000  0.29448000  0.20555400  1
  C  C5  1  0.64543100  0.64543100  0.56728900  1
  C  C6  1  0.35456900  0.35456900  0.43271100  1
  O  O7  1  0.23221600  0.23221600  0.14996400  1
  O  O8  1  0.76778400  0.76778400  0.85003500  1
