data_NaSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   5.22
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSb2Pd
_chemical_formula_sum   'Na1 Sb2 Pd1'
_cell_volume   92.75
_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  0.56  0.0  0.84  1.0
  Sb  Sb2  1  0.15  0.0  0.19  1.0
  Sb  Sb3  1  1.0  0.61  0.98  1.0
  Pd  Pd1  1  0.09  0.61  0.26  1.0

data_NaSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.22
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSb2Pd
_chemical_formula_sum   'Na1 Sb2 Pd1'
_cell_volume   92.75
_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  0.56  0.0  0.84  1.0
  Sb  Sb1  1  0.15  0.0  0.19  1.0
  Sb  Sb2  1  1.0  0.61  0.98  1.0
  Pd  Pd3  1  0.09  0.61  0.26  1.0

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