data_[Cr2Ni6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4302]
_cell_length_b [5.2005]
_cell_length_c [5.6844]
_cell_angle_alpha [103.1258]
_cell_angle_beta [96.0373]
_cell_angle_gamma [107.8246]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrNi3Pd]
_chemical_formula_sum '[Cr2 Ni6 Pd2]'
_cell_volume [119.2468]
_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
[
  Cr  Cr0  2  0.3102  0.8520  0.5831  1
  Ni  Ni1  2  0.0933  0.9514  0.2190  1
  Ni  Ni2  2  0.0957  0.4557  0.2138  1
  Ni  Ni3  2  0.2922  0.3475  0.5851  1
  Pd  Pd4  2  0.4969  0.2487  0.0007  1
]