data_[Cr8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [9.2292]
_cell_length_b [9.2292]
_cell_length_c [2.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [CrPd]
_chemical_formula_sum '[Cr8 Pd8]'
_cell_volume [240.4334]
_cell_formula_units_Z [8]
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  4  0.2178  0.6041  0.0000  1
  Cr  Cr1  4  0.3044  0.4084  0.5000  1
  Pd  Pd2  4  0.0671  0.3623  0.0000  1
  Pd  Pd3  4  0.1221  0.8237  0.5000  1
]