data_FePdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   131.11
_cell_angle_beta   131.11
_cell_angle_gamma   71.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePdW2
_chemical_formula_sum   'Fe1 Pd1 W2'
_cell_volume   58.23
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.95  0.0  0.91  1.0
  W  W2  1  0.0  0.0  0.82  1.0
  W  W3  1  0.0  0.95  0.91  1.0

data_FePdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.72
_cell_angle_alpha   114.45
_cell_angle_beta   114.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePdW2
_chemical_formula_sum   'Fe1 Pd1 W2'
_cell_volume   58.23
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.09  0.0  0.04  1.0
  W  W2  1  0.04  0.95  0.04  1.0
  W  W3  1  0.18  0.0  0.18  1.0

Fe Pd W W
Fe Pd W W 0 1 - o - 0 3 o - - 1 3 + - o 1 2 + o o 2 3 o - o 