data_[Li4Ac8Dy4S20]
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
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1415]
_cell_length_b [17.0024]
_cell_length_c [12.2541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiAc2DyS5]
_chemical_formula_sum '[Li4 Ac8 Dy4 S20]'
_cell_volume [862.8771]
_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  0.0000  0.4811  0.4786  1
  Ac  Ac1  4  0.0000  0.1091  0.6858  1
  Ac  Ac2  4  0.0000  0.1257  0.3009  1
  Dy  Dy3  4  0.0000  0.1975  0.0037  1
  S  S4  4  0.0000  0.0481  0.0619  1
  S  S5  4  0.0000  0.2882  0.6557  1
  S  S6  4  0.0000  0.3070  0.3535  1
  S  S7  4  0.0000  0.3604  0.9999  1
  S  S8  4  0.0000  0.4999  0.2839  1
]