data_[Ac4Cd4S4]
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 [10.2992]
_cell_length_b [3.9175]
_cell_length_c [8.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcCdS]
_chemical_formula_sum '[Ac4 Cd4 S4]'
_cell_volume [355.1410]
_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  4  0.1251  0.0000  0.6726  1
  Cd  Cd1  4  0.1452  0.0000  0.0668  1
  S  S2  4  0.1059  0.5000  0.3874  1
]