data_Ni4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4Pd3
_chemical_formula_sum   'Ni4 Pd3'
_cell_volume   98.68
_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  0.35  1.0
  Ni  Ni1  1  0.0  0.0  0.09  1.0
  Ni  Ni2  1  0.0  0.92  0.0  1.0
  Ni  Ni3  1  0.53  0.46  0.0  1.0
  Pd  Pd4  1  0.53  0.0  0.22  1.0
  Pd  Pd5  1  0.73  0.19  0.22  1.0
  Pd  Pd6  1  0.27  0.19  0.22  1.0

data_Ni4Pd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4Pd3
_chemical_formula_sum   'Ni4 Pd3'
_cell_volume   98.68
_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  0.53  0.46  1.0
  Ni  Ni1  1  -0.0  0.0  0.92  1.0
  Ni  Ni2  1  0.09  0.0  0.0  1.0
  Ni  Ni3  1  0.35  0.0  0.0  1.0
  Pd  Pd4  1  0.22  0.27  0.19  1.0
  Pd  Pd5  1  0.22  0.53  0.0  1.0
  Pd  Pd6  1  0.22  0.73  0.19  1.0

Ni Ni Ni Ni Pd Pd Pd
Ni Ni Ni Ni Pd Pd Pd 0 6 o o o 0 1 o o o 1 2 o - o 1 6 o o o 3 6 o o o 4 5 o o o 