data_[Ni2Pd2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1917]
_cell_length_b [4.0216]
_cell_length_c [5.6515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NiPdI]
_chemical_formula_sum '[Ni2 Pd2 I2]'
_cell_volume [117.6605]
_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  0.3656  0.7500  0.4412  1
  Pd  Pd1  2  0.1391  0.2500  0.6738  1
  I  I2  2  0.2501  0.2500  0.1884  1
]