data_[Nb2Ir2Pd2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8044]
_cell_length_b [3.8443]
_cell_length_c [6.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbIrPdI]
_chemical_formula_sum '[Nb2 Ir2 Pd2 I2]'
_cell_volume [177.7957]
_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
[
  Nb  Nb0  2  0.2646  0.0000  0.5216  1
  Pd  Pd1  2  0.0379  0.5000  0.2918  1
  Ir  Ir2  2  0.1352  0.5000  0.6971  1
  I  I3  2  0.1690  0.0000  0.0139  1
]