data_Sc4Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Pd5
_chemical_formula_sum   'Sc8 Pd10'
_cell_volume   322.18
_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
  Sc  Sc10  1  0.0  0.0  0.87  1.0
  Sc  Sc11  1  0.0  0.0  0.0  1.0
  Sc  Sc12  1  0.09  0.0  0.3  1.0
  Sc  Sc13  1  0.46  0.41  0.3  1.0
  Sc  Sc14  1  0.48  0.57  0.3  1.0
  Sc  Sc15  1  0.96  0.0  0.43  1.0
  Sc  Sc16  1  0.52  0.57  0.43  1.0
  Sc  Sc17  1  0.54  0.41  0.43  1.0
  Pd  Pd0  1  0.43  0.0  0.3  1.0
  Pd  Pd1  1  0.78  0.11  0.3  1.0
  Pd  Pd2  1  0.81  0.87  0.3  1.0
  Pd  Pd3  1  0.62  0.0  0.43  1.0
  Pd  Pd4  1  0.19  0.87  0.43  1.0
  Pd  Pd5  1  0.22  0.11  0.43  1.0
  Pd  Pd6  1  0.0  0.65  0.87  1.0
  Pd  Pd7  1  0.03  0.32  0.0  1.0
  Pd  Pd8  1  0.03  0.32  0.87  1.0
  Pd  Pd9  1  0.0  0.65  0.0  1.0

data_Sc4Pd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   8.05
_cell_length_c   8.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Pd5
_chemical_formula_sum   'Sc8 Pd10'
_cell_volume   322.18
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.3  0.09  0.0  1.0
  Sc  Sc2  1  0.3  0.46  0.41  1.0
  Sc  Sc3  1  0.3  0.48  0.57  1.0
  Sc  Sc4  1  0.43  0.52  0.57  1.0
  Sc  Sc5  1  0.43  0.54  0.41  1.0
  Sc  Sc6  1  0.43  0.96  0.0  1.0
  Sc  Sc7  1  0.87  0.0  0.0  1.0
  Pd  Pd8  1  0.0  0.0  0.65  1.0
  Pd  Pd9  1  0.0  0.03  0.32  1.0
  Pd  Pd10  1  0.3  0.43  0.0  1.0
  Pd  Pd11  1  0.3  0.78  0.11  1.0
  Pd  Pd12  1  0.3  0.81  0.87  1.0
  Pd  Pd13  1  0.43  0.19  0.87  1.0
  Pd  Pd14  1  0.43  0.22  0.11  1.0
  Pd  Pd15  1  0.43  0.62  0.0  1.0
  Pd  Pd16  1  0.87  0.0  0.65  1.0
  Pd  Pd17  1  0.87  0.03  0.32  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd