data_SiSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   21.41
_cell_angle_beta   21.41
_cell_angle_gamma   21.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2Pd
_chemical_formula_sum   'Si1 Sn2 Pd1'
_cell_volume   86.37
_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  Si1  1  0.0  0.0  0.21  1.0
  Sn  Sn2  1  0.0  0.0  0.24  1.0
  Sn  Sn3  1  0.0  0.0  0.19  1.0
  Pd  Pd0  1  0.0  0.0  0.6  1.0

data_SiSn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   3.36
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiSn2Pd
_chemical_formula_sum   'Si2 Sn4 Pd2'
_cell_volume   172.74
_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
  Si  Si0  2  0.0  0.0  0.79  1.0
  Sn  Sn1  2  0.0  0.0  0.76  1.0
  Sn  Sn2  2  0.0  0.0  0.81  1.0
  Pd  Pd3  2  0.0  0.0  0.4  1.0

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