data_Si2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.35
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   94.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgPd
_chemical_formula_sum   'Si2 Ag1 Pd1'
_cell_volume   65.93
_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  0.87  0.18  0.92  1.0
  Si  Si3  1  0.86  0.18  0.0  1.0
  Ag  Ag0  1  0.37  0.0  0.46  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Si2AgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.35
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   94.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgPd
_chemical_formula_sum   'Si2 Ag1 Pd1'
_cell_volume   65.93
_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  0.86  0.18  0.0  1.0
  Si  Si1  1  0.87  0.18  0.92  1.0
  Ag  Ag2  1  0.37  0.0  0.46  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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