data_[Ni4Pd6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [5.3318]
_cell_length_b [10.6471]
_cell_length_c [5.4445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2Pd3S4]
_chemical_formula_sum '[Ni4 Pd6 S8]'
_cell_volume [307.2782]
_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
[
  Ni  Ni0  4  0.0000  0.2138  0.0000  1
  Pd  Pd1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2308  0.3480  0.2585  1
]