data_Hf8Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24
_cell_length_b   8.24
_cell_length_c   8.24
_cell_angle_alpha   91.65
_cell_angle_beta   91.65
_cell_angle_gamma   160.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8Pd
_chemical_formula_sum   'Hf8 Pd1'
_cell_volume   184.98
_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
  Hf  Hf0  1  0.8  0.0  0.0  1.0
  Hf  Hf1  1  0.69  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.8  0.0  1.0
  Hf  Hf3  1  0.94  0.94  0.0  1.0
  Hf  Hf4  1  0.81  0.19  0.4  1.0
  Hf  Hf5  1  0.0  0.69  0.0  1.0
  Hf  Hf6  1  0.19  0.81  0.4  1.0
  Hf  Hf7  1  0.81  0.81  0.4  1.0
  Pd  Pd8  1  0.0  0.0  0.0  1.0

data_Hf8Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.8
_cell_length_b   16.25
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   99.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf8Pd
_chemical_formula_sum   'Hf16 Pd2'
_cell_volume   369.96
_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
  Hf  Hf0  4  0.0  0.19  0.6  1.0
  Hf  Hf1  4  0.1  0.1  0.0  1.0
  Hf  Hf2  4  0.15  0.15  0.0  1.0
  Hf  Hf3  2  0.06  0.0  -0.0  1.0
  Hf  Hf4  2  0.19  0.0  0.6  1.0
  Pd  Pd5  2  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Pd