data_[Ge4Pd16S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  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 [14.8977]
_cell_length_b [4.1786]
_cell_length_c [5.7267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2Pd8S]
_chemical_formula_sum '[Ge4 Pd16 S2]'
_cell_volume [339.0712]
_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
[
  Ge  Ge0  4  0.1804  0.0000  0.7019  1.0
  Pd  Pd1  4  0.0267  0.0000  0.7789  1.0
  Pd  Pd2  4  0.0931  0.5000  0.4368  1.0
  Pd  Pd3  4  0.1613  0.5000  0.9626  1.0
  Pd  Pd4  4  0.2065  0.0000  0.3049  1.0
  S  S5  2  0.0000  0.5000  0.0000  1.0
]