data_Sb2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2AsPd
_chemical_formula_sum   'Sb2 As1 Pd1'
_cell_volume   89.83
_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
  Sb  Sb2  1  0.0  0.0  0.71  1.0
  Sb  Sb3  1  0.56  0.56  0.53  1.0
  As  As0  1  0.0  0.0  0.15  1.0
  Pd  Pd1  1  0.56  0.56  0.7  1.0

data_Sb2AsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2AsPd
_chemical_formula_sum   'Sb4 As2 Pd2'
_cell_volume   179.66
_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  2  0.0  0.0  0.71  1.0
  Sb  Sb1  2  0.06  0.5  0.53  1.0
  As  As2  2  0.0  0.0  0.15  1.0
  Pd  Pd3  2  0.06  0.5  0.7  1.0

Sb Sb As Pd
Sb Sb As Pd 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 1 3 o o o 2 2 + o o 2 2 o + o 