data_Sc8Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   7.79
_cell_angle_alpha   93.03
_cell_angle_beta   93.03
_cell_angle_gamma   153.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Pd
_chemical_formula_sum   'Sc8 Pd1'
_cell_volume   206.2
_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
  Sc  Sc1  1  0.0  0.1  0.0  1.0
  Sc  Sc2  1  0.0  0.62  0.0  1.0
  Sc  Sc3  1  0.62  0.0  0.0  1.0
  Sc  Sc4  1  0.37  0.63  0.79  1.0
  Sc  Sc5  1  0.73  0.73  0.0  1.0
  Sc  Sc6  1  0.1  0.0  0.0  1.0
  Sc  Sc7  1  0.63  0.63  0.79  1.0
  Sc  Sc8  1  0.63  0.37  0.79  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sc8Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.59
_cell_length_b   15.17
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   103.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc8Pd
_chemical_formula_sum   'Sc16 Pd2'
_cell_volume   412.41
_cell_formula_units_Z   2
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
  Sc  Sc0  4  0.19  0.19  -0.0  1.0
  Sc  Sc1  4  0.29  0.87  0.79  1.0
  Sc  Sc2  4  0.45  0.45  -0.0  1.0
  Sc  Sc3  2  0.16  0.0  0.79  1.0
  Sc  Sc4  2  0.27  0.0  -0.0  1.0
  Pd  Pd5  2  0.0  0.0  0.0  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Pd