data_NaNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61
_cell_length_b   9.61
_cell_length_c   9.61
_cell_angle_alpha   17.57
_cell_angle_beta   17.57
_cell_angle_gamma   17.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbPd2
_chemical_formula_sum   'Na1 Nb1 Pd2'
_cell_volume   70.7
_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  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.2  1.0
  Pd  Pd2  1  0.0  0.0  0.46  1.0
  Pd  Pd3  1  0.0  0.0  0.93  1.0

data_NaNbPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   2.94
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNbPd2
_chemical_formula_sum   'Na2 Nb2 Pd4'
_cell_volume   141.4
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.8  1.0
  Pd  Pd2  2  0.0  0.0  0.07  1.0
  Pd  Pd3  2  0.0  0.0  0.54  1.0

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