data_NaRe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Pd
_chemical_formula_sum   'Na1 Re2 Pd1'
_cell_volume   65.79
_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  Re2  1  0.53  0.0  0.25  1.0
  Re  Re3  1  0.53  0.0  0.71  1.0
  Pd  Pd1  1  0.0  0.0  0.98  1.0

data_NaRe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Pd
_chemical_formula_sum   'Na1 Re2 Pd1'
_cell_volume   65.79
_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  0.53  0.0  0.25  1.0
  Re  Re2  1  0.53  0.0  0.71  1.0
  Pd  Pd3  1  0.0  0.0  0.98  1.0

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