# generated using pymatgen
data_LiSc2Al2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27215130
_cell_length_b   10.27215130
_cell_length_c   10.21713566
_cell_angle_alpha   18.91212372
_cell_angle_beta   18.91212372
_cell_angle_gamma   20.82427242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Al2(CO)2
_chemical_formula_sum   'Li1 Sc2 Al2 C2 O2'
_cell_volume   104.84430435
_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  0.50000000  0.50000000  0.00000000  1
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc2  1  0.50000000  0.50000000  0.50000000  1
  Al  Al3  1  0.73738000  0.73738000  0.75193000  1
  Al  Al4  1  0.26262000  0.26262000  0.24806900  1
  C  C5  1  0.62831000  0.62831000  0.58036100  1
  C  C6  1  0.37169000  0.37169000  0.41963900  1
  O  O7  1  0.19355000  0.19355000  0.20551700  1
  O  O8  1  0.80645000  0.80645000  0.79448200  1
