data_Na2P2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   158.67
_cell_angle_beta   158.67
_cell_angle_gamma   30.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2P2Pd
_chemical_formula_sum   'Na2 P2 Pd1'
_cell_volume   108.93
_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  0.08  1.0
  Na  Na1  1  0.0  0.0  0.02  1.0
  P  P2  1  0.0  0.0  0.11  1.0
  P  P3  1  0.0  0.0  0.99  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_Na2P2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2P2Pd
_chemical_formula_sum   'Na4 P4 Pd2'
_cell_volume   217.86
_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  0.0  0.02  1.0
  Na  Na1  2  0.08  0.0  0.08  1.0
  P  P2  2  0.11  0.0  0.11  1.0
  P  P3  2  0.49  0.5  0.99  1.0
  Pd  Pd4  2  0.0  0.0  0.0  1.0

Na Na P P Pd
Na Na P P Pd 0 2 o o o 1 4 o o o 3 4 o o + 