data_Na2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PdW
_chemical_formula_sum   'Na2 Pd1 W1'
_cell_volume   78.84
_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
  Na  Na0  1  0.0  0.0  0.21  1.0
  Na  Na1  1  0.64  0.0  0.56  1.0
  Pd  Pd2  1  0.0  0.0  0.09  1.0
  W  W3  1  0.64  0.0  0.99  1.0

data_Na2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PdW
_chemical_formula_sum   'Na2 Pd1 W1'
_cell_volume   78.84
_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
  Na  Na0  1  0.0  0.0  0.21  1.0
  Na  Na1  1  0.64  0.0  0.56  1.0
  Pd  Pd2  1  0.0  0.0  0.09  1.0
  W  W3  1  0.64  0.0  0.99  1.0

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