data_[Mo8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.5926]
_cell_length_b [4.4908]
_cell_length_c [5.7120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MoPd]
_chemical_formula_sum '[Mo8 Pd8]'
_cell_volume [246.0600]
_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
[
  Mo  Mo0  4  0.0848  0.7500  0.2537  1.0
  Mo  Mo1  4  0.1593  0.2500  0.5050  1.0
  Pd  Pd2  4  0.0870  0.7500  0.7576  1.0
  Pd  Pd3  4  0.1639  0.2500  0.0026  1.0
]