data_NaZnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   18.78
_cell_angle_beta   18.78
_cell_angle_gamma   18.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnPd2
_chemical_formula_sum   'Na1 Zn1 Pd2'
_cell_volume   67.07
_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
  Zn  Zn3  1  0.0  0.0  0.33  1.0
  Pd  Pd1  1  0.0  0.0  0.24  1.0
  Pd  Pd2  1  0.0  0.0  0.41  1.0

data_NaZnPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZnPd2
_chemical_formula_sum   'Na2 Zn2 Pd4'
_cell_volume   134.13
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  2  -0.0  0.0  0.67  1.0
  Pd  Pd2  2  -0.0  0.0  0.76  1.0
  Pd  Pd3  2  -0.0  0.0  0.59  1.0

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