data_[Co4Pd8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8500]
_cell_length_b [7.1245]
_cell_length_c [9.8817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Co(PdS2)2]
_chemical_formula_sum '[Co4 Pd8 S16]'
_cell_volume [482.2524]
_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
[
  Co  Co0  4  0.2500  0.2500  0.7500  1.0
  Pd  Pd1  4  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0000  0.2500  0.1304  1.0
  S  S3  8  0.0000  0.0370  0.7446  1.0
  S  S4  8  0.2345  0.2500  0.5210  1.0
]