data_[Al2Cd2S4]
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 [Cm]
_cell_length_a [6.3561]
_cell_length_b [4.6448]
_cell_length_c [6.2919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlCdS2]
_chemical_formula_sum '[Al2 Cd2 S4]'
_cell_volume [185.6774]
_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
[
  Al  Al0  2  0.3799  0.0000  0.8212  1
  Cd  Cd1  2  0.2558  0.5000  0.3132  1
  S  S2  2  0.2608  0.5000  0.8987  1
  S  S3  2  0.3768  0.0000  0.4482  1
]