data_Na2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   2.87
_cell_angle_alpha   98.14
_cell_angle_beta   98.14
_cell_angle_gamma   119.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CuPd
_chemical_formula_sum   'Na2 Cu1 Pd1'
_cell_volume   71.76
_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  0.98  0.36  0.38  1.0
  Na  Na2  1  0.98  0.64  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.76  0.0  0.0  1.0

data_Na2CuPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.45
_cell_length_c   5.47
_cell_angle_alpha   115.79
_cell_angle_beta   98.14
_cell_angle_gamma   103.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CuPd
_chemical_formula_sum   'Na2 Cu1 Pd1'
_cell_volume   71.76
_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  0.01  0.64  0.61  1.0
  Na  Na1  1  0.74  0.36  0.34  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.76  1.0

Na Na Cu Pd
Na Na Cu Pd 0 3 o o o 0 1 o o o 2 3 - o o 