data_SiSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   4.26
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Pd
_chemical_formula_sum   'Si1 Sb2 Pd1'
_cell_volume   85.27
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.9  0.13  0.0  1.0
  Sb  Sb2  1  0.0  0.13  0.63  1.0
  Pd  Pd0  1  0.9  0.0  0.63  1.0

data_SiSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.26
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Pd
_chemical_formula_sum   'Si1 Sb2 Pd1'
_cell_volume   85.27
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.13  0.63  1.0
  Sb  Sb2  1  0.9  0.13  -0.0  1.0
  Pd  Pd3  1  0.9  0.0  0.63  1.0

Si Sb Sb Pd
Si Sb Sb Pd 0 1 - o o 2 3 - o o 