data_Cu4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42
_cell_length_b   10.32
_cell_length_c   2.5
_cell_angle_alpha   85.36
_cell_angle_beta   80.79
_cell_angle_gamma   13.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Ag
_chemical_formula_sum   'Cu4 Ag1'
_cell_volume   60.34
_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  Cu1  1  0.45  0.04  0.26  1.0
  Cu  Cu2  1  0.45  0.04  0.09  1.0
  Cu  Cu3  1  0.45  0.04  0.35  1.0
  Cu  Cu4  1  0.45  0.04  0.17  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Cu4Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   2.5
_cell_length_c   10.32
_cell_angle_alpha   94.64
_cell_angle_beta   94.64
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Ag
_chemical_formula_sum   'Cu4 Ag1'
_cell_volume   60.34
_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  0.45  0.65  0.49  1.0
  Cu  Cu1  1  0.45  0.74  0.49  1.0
  Cu  Cu2  1  0.45  0.83  0.49  1.0
  Cu  Cu3  1  0.45  0.91  0.49  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0

Cu Cu Cu Cu Ag
Cu Cu Cu Cu Ag 0 3 o o o 0 2 o o o 1 3 o o o 4 4 + - o 4 4 + - - 4 4 o o + 