data_NaMoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   157.73
_cell_angle_beta   157.73
_cell_angle_gamma   31.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoPd
_chemical_formula_sum   'Na1 Mo1 Pd1'
_cell_volume   54.43
_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  Na1  1  0.0  0.0  0.52  1.0
  Mo  Mo0  1  0.0  0.0  0.3  1.0
  Pd  Pd2  1  0.0  0.0  0.11  1.0

data_NaMoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMoPd
_chemical_formula_sum   'Na2 Mo2 Pd2'
_cell_volume   108.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.02  0.5  0.52  1.0
  Mo  Mo1  2  0.3  0.0  0.3  1.0
  Pd  Pd2  2  0.11  0.0  0.11  1.0

Na Mo Pd
Na Mo Pd 0 1 o o o 1 2 o o o 