data_Na2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   155.08
_cell_angle_beta   128.74
_cell_angle_gamma   57.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2RePd
_chemical_formula_sum   'Na2 Re1 Pd1'
_cell_volume   79.23
_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  0.84  1.0
  Na  Na1  1  0.35  0.0  0.96  1.0
  Re  Re3  1  0.0  0.7  0.4  1.0
  Pd  Pd2  1  0.0  0.0  0.64  1.0

data_Na2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   5.39
_cell_length_c   6.24
_cell_angle_alpha   115.63
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2RePd
_chemical_formula_sum   'Na2 Re1 Pd1'
_cell_volume   79.23
_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  0.84  0.84  1.0
  Na  Na1  1  0.0  0.96  0.61  1.0
  Re  Re2  1  0.3  0.7  0.7  1.0
  Pd  Pd3  1  0.0  0.64  0.64  1.0

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