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 [C2/m]
_cell_length_a [13.5795]
_cell_length_b [3.2172]
_cell_length_c [5.9218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VPdS2]
_chemical_formula_sum '[V4 Pd4 S8]'
_cell_volume [256.2603]
_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  4  0.2483  0.5000  0.1986  1.0
  Pd  Pd1  4  0.0412  0.5000  0.2315  1.0
  S  S2  4  0.1340  0.5000  0.8639  1.0
  S  S3  4  0.1611  0.0000  0.4033  1.0
]