data_Ni5Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   22.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Pd
_chemical_formula_sum   'Ni5 Pd1'
_cell_volume   70.62
_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
  Ni  Ni0  1  0.0  0.0  0.07  1.0
  Ni  Ni1  1  0.0  0.0  0.79  1.0
  Ni  Ni2  1  0.0  0.0  0.32  1.0
  Ni  Ni3  1  0.08  0.0  0.38  1.0
  Ni  Ni4  1  0.08  0.0  0.85  1.0
  Pd  Pd5  1  0.08  0.0  0.71  1.0

data_Ni5Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.16
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   101.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Pd
_chemical_formula_sum   'Ni5 Pd1'
_cell_volume   70.62
_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
  Ni  Ni0  1  0.15  0.08  0.15  1.0
  Ni  Ni1  1  0.21  0.0  0.21  1.0
  Ni  Ni2  1  0.62  0.08  0.62  1.0
  Ni  Ni3  1  0.68  0.0  0.68  1.0
  Ni  Ni4  1  0.93  0.0  0.93  1.0
  Pd  Pd5  1  0.29  0.08  0.29  1.0

Ni Ni Ni Ni Ni Pd