data_NaFePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   156.53
_cell_angle_beta   156.53
_cell_angle_gamma   33.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFePd
_chemical_formula_sum   'Na1 Fe1 Pd1'
_cell_volume   51.77
_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  Na1  1  0.0  0.0  0.32  1.0
  Fe  Fe0  1  0.0  0.0  0.29  1.0
  Pd  Pd2  1  0.0  0.0  0.58  1.0

data_NaFePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFePd
_chemical_formula_sum   'Na2 Fe2 Pd2'
_cell_volume   103.55
_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
  Na  Na0  2  0.32  0.0  0.32  1.0
  Fe  Fe1  2  0.29  0.0  0.29  1.0
  Pd  Pd2  2  0.08  0.5  0.58  1.0

Na Fe Pd
Na Fe Pd 0 1 o o o 0 2 o o o 1 2 o o o 