data_Cu3Ag5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   8.15
_cell_length_c   8.15
_cell_angle_alpha   38.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Ag5
_chemical_formula_sum   'Cu3 Ag5'
_cell_volume   113.25
_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  Cu5  1  0.36  0.64  0.6  1.0
  Cu  Cu6  1  0.0  0.0  0.52  1.0
  Cu  Cu7  1  0.36  0.36  0.6  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.36  0.64  0.76  1.0
  Ag  Ag2  1  0.0  0.0  0.84  1.0
  Ag  Ag3  1  0.0  0.0  0.68  1.0
  Ag  Ag4  1  0.36  0.36  0.76  1.0

data_Cu3Ag5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.43
_cell_length_c   8.15
_cell_angle_alpha   109.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Ag5
_chemical_formula_sum   'Cu3 Ag5'
_cell_volume   113.25
_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  0.52  0.52  1.0
  Cu  Cu1  1  0.64  0.6  0.24  1.0
  Cu  Cu2  1  0.64  0.6  0.96  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0
  Ag  Ag4  1  0.0  0.68  0.68  1.0
  Ag  Ag5  1  0.0  0.84  0.84  1.0
  Ag  Ag6  1  0.64  0.76  0.4  1.0
  Ag  Ag7  1  0.64  0.76  0.12  1.0

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