data_[Mo6Pd2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.4971]
_cell_length_b [6.5962]
_cell_length_c [6.4778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Mo3PdS4]
_chemical_formula_sum '[Mo6 Pd2 S8]'
_cell_volume [277.6181]
_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
[
  Mo  Mo0  4  0.2179  0.6297  0.4582  1
  Mo  Mo1  2  0.0000  0.2496  0.5662  1
  Pd  Pd2  2  0.0000  0.7852  0.0694  1
  S  S3  4  0.2489  0.6837  0.8079  1
  S  S4  2  0.0000  0.1359  0.9087  1
  S  S5  2  0.0000  0.9120  0.4083  1
]