data_Fe2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   130.16
_cell_angle_beta   130.16
_cell_angle_gamma   73.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2PdW
_chemical_formula_sum   'Fe2 Pd1 W1'
_cell_volume   53.55
_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  0.92  0.83  1.0
  Fe  Fe1  1  0.92  0.0  0.83  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.65  1.0

data_Fe2PdW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   126.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2PdW
_chemical_formula_sum   'Fe4 Pd2 W2'
_cell_volume   107.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.13  0.04  0.09  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.35  0.0  0.35  1.0

Fe Fe Pd W