data_Sb5Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   97.33
_cell_angle_beta   97.33
_cell_angle_gamma   138.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Pd4
_chemical_formula_sum   'Sb5 Pd4'
_cell_volume   189.46
_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
  Sb  Sb4  1  0.0  0.0  0.0  1.0
  Sb  Sb5  1  0.4  0.6  0.4  1.0
  Sb  Sb6  1  0.6  0.4  0.4  1.0
  Sb  Sb7  1  0.84  0.84  0.0  1.0
  Sb  Sb8  1  0.6  0.6  0.4  1.0
  Pd  Pd0  1  0.0  0.91  0.0  1.0
  Pd  Pd1  1  0.0  0.97  0.0  1.0
  Pd  Pd2  1  0.97  0.0  0.0  1.0
  Pd  Pd3  1  0.91  0.0  0.0  1.0

data_Sb5Pd4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   12.56
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   110.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb5Pd4
_chemical_formula_sum   'Sb10 Pd8'
_cell_volume   378.93
_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
  Sb  Sb0  4  -0.0  0.4  0.6  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.16  0.0  0.0  1.0
  Sb  Sb3  2  0.4  0.0  0.6  1.0
  Pd  Pd4  4  0.01  0.01  0.0  1.0
  Pd  Pd5  4  0.05  0.05  0.0  1.0

Sb Sb Sb Sb Sb Pd Pd Pd Pd