data_Sr2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   7.69
_cell_angle_alpha   106.66
_cell_angle_beta   106.66
_cell_angle_gamma   59.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PdAu
_chemical_formula_sum   'Sr2 Pd1 Au1'
_cell_volume   126.07
_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  Sr2  1  0.05  0.0  0.54  1.0
  Sr  Sr3  1  0.24  0.0  0.72  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.64  0.0  0.63  1.0

data_Sr2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.5
_cell_length_c   7.69
_cell_angle_alpha   106.66
_cell_angle_beta   90.0
_cell_angle_gamma   119.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PdAu
_chemical_formula_sum   'Sr2 Pd1 Au1'
_cell_volume   126.07
_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  0.76  0.28  1.0
  Sr  Sr1  1  0.0  0.95  0.46  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.36  0.37  1.0

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