data_[Cd1S5I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4230]
_cell_length_b [7.1106]
_cell_length_c [7.7899]
_cell_angle_alpha [82.5948]
_cell_angle_beta [86.6165]
_cell_angle_gamma [87.2682]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdS5I]
_chemical_formula_sum '[Cd1 S5 I1]'
_cell_volume [242.3284]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.5082  0.6772  0.3085  1
  S  S1  1  0.2667  0.2412  0.5494  1
  S  S2  1  0.4525  0.7120  0.6344  1
  S  S3  1  0.4878  0.2457  0.7788  1
  S  S4  1  0.5493  0.3102  0.3440  1
  S  S5  1  0.7205  0.4976  0.7367  1
  I  I6  1  0.0150  0.8469  0.1174  1
]