data_SiSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.21
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnPd2
_chemical_formula_sum   'Si1 Sn1 Pd2'
_cell_volume   69.33
_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  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.65  0.0  0.5  1.0
  Pd  Pd0  1  0.65  0.1  0.0  1.0
  Pd  Pd1  1  0.0  0.1  0.5  1.0

data_SiSnPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.3
_cell_length_b   5.0
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SiSnPd2
_chemical_formula_sum   'Si1 Sn1 Pd2'
_cell_volume   69.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sn  Sn1  1  0.65  0.5  0.0  1.0
  Pd  Pd2  1  -0.0  0.5  0.1  1.0
  Pd  Pd3  1  0.65  0.0  0.1  1.0

Si Sn Pd Pd
Si Sn Pd Pd 0 2 - o o 1 3 + o o 