data_SrCu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.49
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Au
_chemical_formula_sum   'Sr1 Cu2 Au1'
_cell_volume   79.55
_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  0.35  1.0
  Cu  Cu1  1  0.0  0.0  0.16  1.0
  Cu  Cu2  1  0.69  0.74  0.21  1.0
  Au  Au0  1  0.69  0.74  0.42  1.0

data_SrCu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.49
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Au
_chemical_formula_sum   'Sr1 Cu2 Au1'
_cell_volume   79.55
_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  0.35  1.0
  Cu  Cu1  1  0.0  0.0  0.16  1.0
  Cu  Cu2  1  0.69  0.74  0.21  1.0
  Au  Au3  1  0.69  0.74  0.42  1.0

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