data_[Ni12Pd4S2N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.4627]
_cell_length_b [5.4627]
_cell_length_c [8.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ni6Pd2SN]
_chemical_formula_sum '[Ni12 Pd4 S2 N2]'
_cell_volume [242.0372]
_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  8  0.2364  0.2364  0.0173  1.0
  Ni  Ni1  2  0.0000  0.0000  0.2205  1.0
  Ni  Ni2  2  0.0000  0.0000  0.7461  1.0
  Pd  Pd3  4  0.0000  0.5000  0.2635  1.0
  S  S4  2  0.0000  0.0000  0.4699  1.0
  N  N5  2  0.0000  0.0000  0.9720  1.0
]