data_[V4Pd4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5609]
_cell_length_b [3.1596]
_cell_length_c [7.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VPdS2]
_chemical_formula_sum '[V4 Pd4 S8]'
_cell_volume [292.3021]
_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
[
  V  V0  2  0.2132  0.0000  0.4927  1.0
  V  V1  2  0.2667  0.5000  0.2308  1.0
  Pd  Pd2  2  0.2840  0.5000  0.8613  1.0
  Pd  Pd3  2  0.4898  0.5000  0.4023  1.0
  S  S4  2  0.1175  0.5000  0.6102  1.0
  S  S5  2  0.1347  0.0000  0.1539  1.0
  S  S6  2  0.3493  0.5000  0.5706  1.0
  S  S7  2  0.3744  0.0000  0.1346  1.0
]