data_[Ni2Pd6S8]
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 [Pmn2_1]
_cell_length_a [7.1974]
_cell_length_b [6.3052]
_cell_length_c [6.2110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NiPd3S4]
_chemical_formula_sum '[Ni2 Pd6 S8]'
_cell_volume [281.8595]
_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  2  0.0000  0.1224  0.9737  1
  Pd  Pd1  4  0.2026  0.7068  0.9618  1
  Pd  Pd2  2  0.0000  0.8473  0.5782  1
  S  S3  4  0.2152  0.3442  0.1020  1
  S  S4  2  0.0000  0.2193  0.6336  1
  S  S5  2  0.0000  0.8623  0.2022  1
]