data_SrCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   130.66
_cell_angle_beta   122.46
_cell_angle_gamma   79.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuAu2
_chemical_formula_sum   'Sr1 Cu1 Au2'
_cell_volume   88.46
_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  0.52  0.93  1.0
  Cu  Cu2  1  0.0  0.0  0.72  1.0
  Au  Au0  1  0.0  0.0  0.14  1.0
  Au  Au1  1  0.18  0.0  0.27  1.0

data_SrCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   5.03
_cell_length_c   5.23
_cell_angle_alpha   118.77
_cell_angle_beta   114.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuAu2
_chemical_formula_sum   'Sr1 Cu1 Au2'
_cell_volume   88.46
_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  0.48  0.41  0.41  1.0
  Cu  Cu1  1  0.0  0.72  0.72  1.0
  Au  Au2  1  0.0  0.14  0.14  1.0
  Au  Au3  1  0.0  0.27  0.09  1.0

Sr Cu Au Au