data_[Li4Ac8La4S20]
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
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2163]
_cell_length_b [17.2099]
_cell_length_c [12.4390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiAc2LaS5]
_chemical_formula_sum '[Li4 Ac8 La4 S20]'
_cell_volume [902.6035]
_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  0.4891  0.4849  1
  Ac  Ac1  4  0.0000  0.1120  0.6841  1
  Ac  Ac2  4  0.0000  0.1204  0.3002  1
  La  La3  4  0.0000  0.1949  0.9996  1
  S  S4  4  0.0000  0.0416  0.0665  1
  S  S5  4  0.0000  0.2936  0.6591  1
  S  S6  4  0.0000  0.3043  0.3416  1
  S  S7  4  0.0000  0.3627  0.0004  1
  S  S8  4  0.0000  0.4965  0.2875  1
]