data_Cu5Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.17
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5Ag3
_chemical_formula_sum   'Cu5 Ag3'
_cell_volume   102.69
_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
  Cu  Cu3  1  0.0  0.09  0.17  1.0
  Cu  Cu4  1  0.47  0.09  0.26  1.0
  Cu  Cu5  1  0.47  0.0  0.0  1.0
  Cu  Cu6  1  0.0  0.0  0.09  1.0
  Cu  Cu7  1  0.0  0.0  0.26  1.0
  Ag  Ag0  1  0.0  0.09  0.0  1.0
  Ag  Ag1  1  0.47  0.09  0.09  1.0
  Ag  Ag2  1  0.47  0.0  0.17  1.0

data_Cu5Ag3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.17
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5Ag3
_chemical_formula_sum   'Cu5 Ag3'
_cell_volume   102.69
_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
  Cu  Cu0  1  0.0  0.0  0.09  1.0
  Cu  Cu1  1  0.0  0.0  0.26  1.0
  Cu  Cu2  1  0.0  0.09  0.17  1.0
  Cu  Cu3  1  0.48  0.0  0.0  1.0
  Cu  Cu4  1  0.48  0.09  0.26  1.0
  Ag  Ag5  1  0.0  0.09  0.0  1.0
  Ag  Ag6  1  0.48  0.0  0.17  1.0
  Ag  Ag7  1  0.48  0.09  0.09  1.0

Cu Cu Cu Cu Cu Ag Ag Ag
Cu Cu Cu Cu Cu Ag Ag Ag 0 3 o o o 0 4 o o o 1 7 o o o 2 6 o o o 3 5 o o o 6 7 o o o 