data_[Ac8Cd4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2242]
_cell_length_b [4.4182]
_cell_length_c [9.5782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Cd2S]
_chemical_formula_sum '[Ac8 Cd4 S2]'
_cell_volume [498.1031]
_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
[
  Ac  Ac0  4  0.0912  0.0000  0.3717  1
  Ac  Ac1  4  0.1653  0.5000  0.0782  1
  Cd  Cd2  4  0.1175  0.5000  0.6734  1
  S  S3  2  0.0000  0.0000  0.0000  1
]