data_[Na2Ac2Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6710]
_cell_length_b [6.7005]
_cell_length_c [8.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaAcSiS4]
_chemical_formula_sum '[Na2 Ac2 Si2 S8]'
_cell_volume [339.1655]
_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
[
  Na  Na0  2  0.2203  0.2500  0.5503  1
  Ac  Ac1  2  0.2685  0.2500  0.0696  1
  Si  Si2  2  0.2326  0.7500  0.3090  1
  S  S3  4  0.0178  0.5032  0.2419  1
  S  S4  2  0.4136  0.7500  0.5768  1
  S  S5  2  0.4137  0.7500  0.1287  1
]