data_SrPd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.89
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd2Au
_chemical_formula_sum   'Sr1 Pd2 Au1'
_cell_volume   82.75
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.66  0.95  0.57  1.0
  Pd  Pd2  1  0.66  0.95  0.84  1.0
  Au  Au0  1  0.0  0.0  0.21  1.0

data_SrPd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.89
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPd2Au
_chemical_formula_sum   'Sr1 Pd2 Au1'
_cell_volume   82.75
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.66  0.95  0.57  1.0
  Pd  Pd2  1  0.66  0.95  0.84  1.0
  Au  Au3  1  0.0  0.0  0.21  1.0

Sr Pd Pd Au
Sr Pd Pd Au 0 2 - - - 0 3 o o o 1 2 o o o 