data_[Al4Cd4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.6728]
_cell_length_b [25.7113]
_cell_length_c [6.2061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlCdS4]
_chemical_formula_sum '[Al4 Cd4 S16]'
_cell_volume [743.1541]
_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
[
  Al  Al0  4  0.0000  0.0010  0.2500  1
  Cd  Cd1  4  0.0000  0.3811  0.2500  1
  S  S2  8  0.1797  0.1962  0.8467  1
  S  S3  8  0.2128  0.0512  0.5178  1
]