data_Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   150.44
_cell_angle_beta   54.45
_cell_angle_gamma   135.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Pd
_chemical_formula_sum   'Si3 Pd1'
_cell_volume   60.88
_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  0.4  0.57  1.0
  Si  Si2  1  0.43  0.59  0.44  1.0
  Si  Si3  1  0.0  0.0  0.16  1.0
  Pd  Pd0  1  0.43  0.0  0.92  1.0

data_Si3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.26
_cell_length_c   5.61
_cell_angle_alpha   112.32
_cell_angle_beta   104.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Pd
_chemical_formula_sum   'Si3 Pd1'
_cell_volume   60.88
_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  0.84  0.84  1.0
  Si  Si1  1  0.16  0.14  0.71  1.0
  Si  Si2  1  0.4  0.83  0.83  1.0
  Pd  Pd3  1  0.57  0.08  0.65  1.0

Si Si Si Pd