data_NiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86
_cell_length_b   11.86
_cell_length_c   11.86
_cell_angle_alpha   161.53
_cell_angle_beta   161.53
_cell_angle_gamma   26.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPd2
_chemical_formula_sum   'Ni4 Pd8'
_cell_volume   167.2
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.0  0.9  0.8  1.0
  Ni  Ni1  1  0.0  0.9  0.75  1.0
  Ni  Ni2  1  0.0  0.0  0.12  1.0
  Ni  Ni3  1  0.0  0.0  0.97  1.0
  Pd  Pd4  1  0.9  0.0  0.54  1.0
  Pd  Pd5  1  0.9  0.0  0.01  1.0
  Pd  Pd6  1  0.0  0.0  0.31  1.0
  Pd  Pd7  1  0.0  0.0  0.78  1.0
  Pd  Pd8  1  0.9  0.0  0.74  1.0
  Pd  Pd9  1  0.9  0.0  0.81  1.0
  Pd  Pd10  1  0.0  0.0  0.51  1.0
  Pd  Pd11  1  0.0  0.0  0.58  1.0

data_NiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   11.86
_cell_angle_alpha   99.23
_cell_angle_beta   99.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPd2
_chemical_formula_sum   'Ni4 Pd8'
_cell_volume   167.2
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.03  0.0  0.03  1.0
  Ni  Ni1  1  0.1  0.9  0.1  1.0
  Ni  Ni2  1  0.15  0.9  0.15  1.0
  Ni  Ni3  1  0.88  0.0  0.88  1.0
  Pd  Pd4  1  0.19  0.0  0.09  1.0
  Pd  Pd5  1  0.22  0.0  0.22  1.0
  Pd  Pd6  1  0.26  0.0  0.16  1.0
  Pd  Pd7  1  0.42  0.0  0.42  1.0
  Pd  Pd8  1  0.46  0.0  0.36  1.0
  Pd  Pd9  1  0.49  0.0  0.49  1.0
  Pd  Pd10  1  0.69  0.0  0.69  1.0
  Pd  Pd11  1  0.99  0.0  0.89  1.0

Ni Ni Ni Ni Pd Pd Pd Pd Pd Pd Pd Pd