data_[Pd6W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.5874]
_cell_length_b [5.4661]
_cell_length_c [4.8618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pd3W]
_chemical_formula_sum '[Pd6 W2]'
_cell_volume [121.9119]
_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
[
  Pd  Pd0  4  0.0000  0.2502  0.1620  1.0
  Pd  Pd1  2  0.0000  0.5000  0.6505  1.0
  W  W2  2  0.0000  0.0000  0.6594  1.0
]