data_[Ni8Ir4Pd4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6277]
_cell_length_b [11.1916]
_cell_length_c [6.4509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ni2IrPdSe6]
_chemical_formula_sum '[Ni8 Ir4 Pd4 Se24]'
_cell_volume [812.7122]
_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
[
  Ni  Ni0  8  0.1809  0.4173  0.3242  1.0
  Ir  Ir1  4  0.0000  0.0921  0.2500  1.0
  Pd  Pd2  4  0.0000  0.2568  0.7500  1.0
  Se  Se3  8  0.1123  0.0815  0.6358  1.0
  Se  Se4  8  0.1346  0.2379  0.1489  1.0
  Se  Se5  8  0.1459  0.4033  0.6554  1.0
]