data_[Li4Ac4S4O16]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.4382]
_cell_length_b [7.7692]
_cell_length_c [8.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiAcSO4]
_chemical_formula_sum '[Li4 Ac4 S4 O16]'
_cell_volume [469.2422]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.2500  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  S  S2  4  0.0000  0.2500  0.5690  1
  O  O3  8  0.0000  0.0931  0.6766  1
  O  O4  8  0.2001  0.2500  0.0337  1
]