data_Si3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.7
_cell_length_b   9.7
_cell_length_c   9.7
_cell_angle_alpha   17.67
_cell_angle_beta   17.67
_cell_angle_gamma   17.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Pd2
_chemical_formula_sum   'Si3 Pd2'
_cell_volume   73.4
_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
  Si  Si3  1  0.0  0.0  0.91  1.0
  Si  Si4  1  0.0  0.0  0.73  1.0
  Pd  Pd0  1  0.0  0.0  0.54  1.0
  Pd  Pd1  1  0.0  0.0  0.1  1.0

data_Si3Pd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si3Pd2
_chemical_formula_sum   'Si6 Pd4'
_cell_volume   146.81
_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  0.0  1.0
  Si  Si1  2  0.0  0.0  0.09  1.0
  Si  Si2  2  0.0  0.0  0.27  1.0
  Pd  Pd3  2  0.0  0.0  0.9  1.0
  Pd  Pd4  2  0.0  0.0  0.46  1.0

Si Si Si Pd Pd
Si Si Si Pd Pd 0 1 o o - 0 4 o o o 1 2 o o o 2 3 o o o 