data_[La8Cd4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.5919]
_cell_length_b [8.5919]
_cell_length_c [9.0087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [La2CdS4]
_chemical_formula_sum '[La8 Cd4 S16]'
_cell_volume [665.0290]
_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
[
  La  La0  8  0.1425  0.2500  0.6250  1.0
  Cd  Cd1  4  0.0000  0.0000  0.0000  1.0
  S  S2  16  0.0688  0.1971  0.3127  1.0
]