data_Fe6Pd7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   8.84
_cell_angle_alpha   33.43
_cell_angle_beta   33.43
_cell_angle_gamma   33.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6Pd7
_chemical_formula_sum   'Fe6 Pd7'
_cell_volume   186.83
_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
  Fe  Fe0  1  0.0  0.0  0.54  1.0
  Fe  Fe1  1  0.0  0.0  0.48  1.0
  Fe  Fe2  1  0.0  0.0  0.1  1.0
  Fe  Fe3  1  0.0  0.0  0.92  1.0
  Fe  Fe4  1  0.0  0.0  0.85  1.0
  Fe  Fe5  1  0.0  0.0  0.17  1.0
  Pd  Pd6  1  0.74  0.73  0.23  1.0
  Pd  Pd7  1  0.0  0.55  0.23  1.0
  Pd  Pd8  1  0.26  0.73  0.23  1.0
  Pd  Pd9  1  0.26  0.27  0.79  1.0
  Pd  Pd10  1  0.74  0.27  0.79  1.0
  Pd  Pd11  1  0.0  0.45  0.79  1.0
  Pd  Pd12  1  0.0  0.0  0.0  1.0

data_Fe6Pd7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   8.84
_cell_angle_alpha   73.29
_cell_angle_beta   73.29
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6Pd7
_chemical_formula_sum   'Fe6 Pd7'
_cell_volume   186.83
_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
  Fe  Fe0  1  0.0  0.08  0.92  1.0
  Fe  Fe1  1  0.0  0.15  0.85  1.0
  Fe  Fe2  1  0.0  0.46  0.54  1.0
  Fe  Fe3  1  0.0  0.52  0.48  1.0
  Fe  Fe4  1  0.0  0.83  0.17  1.0
  Fe  Fe5  1  0.0  0.9  0.1  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.27  0.77  0.7  1.0
  Pd  Pd8  1  0.27  0.77  0.22  1.0
  Pd  Pd9  1  0.45  0.77  0.78  1.0
  Pd  Pd10  1  0.55  0.21  0.24  1.0
  Pd  Pd11  1  0.73  0.21  0.32  1.0
  Pd  Pd12  1  0.73  0.21  0.81  1.0

Fe Fe Fe Fe Fe Fe Pd Pd Pd Pd Pd Pd Pd