data_[Sb2Pd16S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5077]
_cell_length_b [11.0642]
_cell_length_c [4.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb(Pd4S)2]
_chemical_formula_sum '[Sb2 Pd16 S4]'
_cell_volume [355.4467]
_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
[
  Sb  Sb0  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  8  0.1940  0.1287  0.0934  1.0
  Pd  Pd2  4  0.0000  0.2474  0.5000  1.0
  Pd  Pd3  4  0.1253  0.5000  0.3261  1.0
  S  S4  4  0.0000  0.3211  0.0000  1.0
]