data_[Li2Sc4Al4C4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7453]
_cell_length_b [3.7709]
_cell_length_c [10.2950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSc2Al2(CO)2]
_chemical_formula_sum '[Li2 Sc4 Al4 C4 O4]'
_cell_volume [220.7231]
_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  2  0.0000  0.0000  0.5000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  2  0.0000  0.5000  0.5000  1
  Al  Al3  4  0.2034  0.5000  0.2056  1
  C  C4  4  0.1474  0.5000  0.8571  1
  O  O5  4  0.2332  0.0000  0.6140  1
]