data_NaRePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   134.18
_cell_angle_beta   134.18
_cell_angle_gamma   66.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRePd2
_chemical_formula_sum   'Na1 Re1 Pd2'
_cell_volume   63.27
_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
  Re  Re3  1  0.0  0.95  0.09  1.0
  Pd  Pd1  1  0.95  0.0  0.09  1.0
  Pd  Pd2  1  0.0  0.0  0.17  1.0

data_NaRePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.0
_cell_angle_alpha   112.91
_cell_angle_beta   112.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRePd2
_chemical_formula_sum   'Na1 Re1 Pd2'
_cell_volume   63.27
_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
  Re  Re1  1  0.86  0.95  0.86  1.0
  Pd  Pd2  1  0.83  0.0  0.83  1.0
  Pd  Pd3  1  0.91  0.0  0.86  1.0

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