data_AlSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   135.45
_cell_angle_beta   135.45
_cell_angle_gamma   64.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiPd2
_chemical_formula_sum   'Al1 Si1 Pd2'
_cell_volume   57.71
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.86  0.08  1.0
  Pd  Pd1  1  0.86  0.0  0.08  1.0
  Pd  Pd2  1  0.0  0.0  0.15  1.0

data_AlSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   4.92
_cell_angle_alpha   112.27
_cell_angle_beta   112.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiPd2
_chemical_formula_sum   'Al1 Si1 Pd2'
_cell_volume   57.71
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.79  0.86  0.79  1.0
  Pd  Pd2  1  0.85  0.0  0.85  1.0
  Pd  Pd3  1  0.92  0.0  0.79  1.0

Al Si Pd Pd
Al Si Pd Pd 0 3 o o o 1 3 o + o 2 3 + o o 