data_NaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.99
_cell_angle_alpha   98.24
_cell_angle_beta   98.24
_cell_angle_gamma   32.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd3
_chemical_formula_sum   'Na1 Pd3'
_cell_volume   65.82
_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
  Pd  Pd1  1  0.41  0.0  0.47  1.0
  Pd  Pd2  1  0.78  0.0  0.66  1.0
  Pd  Pd3  1  0.03  0.0  0.27  1.0

data_NaPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.98
_cell_length_c   4.99
_cell_angle_alpha   98.24
_cell_angle_beta   90.0
_cell_angle_gamma   106.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd3
_chemical_formula_sum   'Na1 Pd3'
_cell_volume   65.82
_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
  Pd  Pd1  1  0.0  0.22  0.34  1.0
  Pd  Pd2  1  0.0  0.59  0.53  1.0
  Pd  Pd3  1  0.0  0.97  0.73  1.0

Na Pd Pd Pd