data_Sb2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62
_cell_length_b   10.62
_cell_length_c   10.62
_cell_angle_alpha   16.86
_cell_angle_beta   16.86
_cell_angle_gamma   16.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2MoPd
_chemical_formula_sum   'Sb2 Mo1 Pd1'
_cell_volume   88.05
_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  0.65  1.0
  Sb  Sb3  1  0.0  0.0  0.2  1.0
  Mo  Mo0  1  0.0  0.0  0.47  1.0
  Pd  Pd1  1  0.0  0.0  0.8  1.0

data_Sb2MoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   99.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2MoPd
_chemical_formula_sum   'Sb4 Mo2 Pd2'
_cell_volume   176.09
_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  0.35  1.0
  Sb  Sb1  2  0.0  0.0  0.8  1.0
  Mo  Mo2  2  0.0  0.0  0.53  1.0
  Pd  Pd3  2  0.0  0.0  0.2  1.0

Sb Sb Mo Pd