data_Ni3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   152.54
_cell_angle_beta   152.54
_cell_angle_gamma   39.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Pd
_chemical_formula_sum   'Ni6 Pd2'
_cell_volume   96.65
_cell_formula_units_Z   2
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  0.83  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.82  1.0
  Ni  Ni2  1  0.0  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.83  0.62  1.0
  Ni  Ni4  1  0.83  0.0  0.62  1.0
  Ni  Ni5  1  0.83  0.0  0.0  1.0
  Pd  Pd6  1  0.0  0.0  0.44  1.0
  Pd  Pd7  1  0.0  0.0  0.06  1.0

data_Ni3Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   109.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni3Pd
_chemical_formula_sum   'Ni12 Pd4'
_cell_volume   193.31
_cell_formula_units_Z   4
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
  Ni  Ni0  4  0.09  0.91  0.17  1.0
  Ni  Ni1  4  0.21  0.41  0.8  1.0
  Ni  Ni2  2  0.18  0.5  0.68  1.0
  Ni  Ni3  2  0.32  0.5  0.82  1.0
  Pd  Pd4  2  0.06  0.0  0.06  1.0
  Pd  Pd5  2  0.44  0.0  0.44  1.0

Ni Ni Ni Ni Ni Ni Pd Pd