data_[Ge4Pd4S12]
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 [Cmc2_1]
_cell_length_a [3.4996]
_cell_length_b [22.8606]
_cell_length_c [6.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GePdS3]
_chemical_formula_sum '[Ge4 Pd4 S12]'
_cell_volume [487.0821]
_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
[
  Ge  Ge0  4  0.0000  0.3817  0.5688  1
  Pd  Pd1  4  0.0000  0.1713  0.5216  1
  S  S2  4  0.0000  0.0588  0.1419  1
  S  S3  4  0.0000  0.2981  0.7770  1
  S  S4  4  0.0000  0.3764  0.1967  1
]