data_CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   160.54
_cell_angle_beta   152.34
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg
_chemical_formula_sum   'Cu4 Ag4'
_cell_volume   108.0
_cell_formula_units_Z   4
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  Cu4  1  0.0  0.06  0.42  1.0
  Cu  Cu5  1  0.0  0.06  0.67  1.0
  Cu  Cu6  1  0.5  0.06  0.82  1.0
  Cu  Cu7  1  0.5  0.06  0.06  1.0
  Ag  Ag0  1  0.0  0.06  0.18  1.0
  Ag  Ag1  1  0.5  0.06  0.3  1.0
  Ag  Ag2  1  0.0  0.18  0.06  1.0
  Ag  Ag3  1  0.5  0.94  0.42  1.0

data_CuAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   4.24
_cell_length_c   8.87
_cell_angle_alpha   103.83
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuAg
_chemical_formula_sum   'Cu4 Ag4'
_cell_volume   108.0
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.18  0.93  1.0
  Cu  Cu1  2  0.5  0.42  0.17  1.0
  Ag  Ag2  2  0.38  0.7  0.45  1.0
  Ag  Ag3  2  0.5  0.06  0.31  1.0

Cu Cu Cu Cu Ag Ag Ag Ag