data_[Zn4Cd4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3148]
_cell_length_b [4.0000]
_cell_length_c [7.0098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnCdS2]
_chemical_formula_sum '[Zn4 Cd4 S8]'
_cell_volume [368.0189]
_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
[
  Zn  Zn0  2  0.1520  0.0000  0.7784  1.0
  Zn  Zn1  2  0.3956  0.5000  0.0167  1.0
  Cd  Cd2  2  0.1468  0.5000  0.2658  1.0
  Cd  Cd3  2  0.4037  0.0000  0.5326  1.0
  S  S4  2  0.0757  0.0000  0.0599  1.0
  S  S5  2  0.0988  0.5000  0.6051  1.0
  S  S6  2  0.3326  0.0000  0.8511  1.0
  S  S7  2  0.3415  0.5000  0.3194  1.0
]