data_[Ac8S4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3125]
_cell_length_b [4.3601]
_cell_length_c [6.9178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac2SN2]
_chemical_formula_sum '[Ac8 S4 N8]'
_cell_volume [423.3930]
_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
[
  Ac  Ac0  8  0.1423  0.2849  0.1454  1
  S  S1  4  0.0000  0.2200  0.7500  1
  N  N2  8  0.2214  0.1354  0.5289  1
]