data_[Li2Ac4C2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3132]
_cell_length_b [4.9523]
_cell_length_c [11.9426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiAc2CO6]
_chemical_formula_sum '[Li2 Ac4 C2 O12]'
_cell_volume [349.9893]
_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  0.5000  0.0000  0.0000  1
  Ac  Ac1  4  0.3404  0.5120  0.7823  1
  C  C2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.0333  0.7299  0.9929  1
  O  O4  4  0.3578  0.1425  0.4835  1
  O  O5  4  0.3961  0.0184  0.7773  1
]