data_CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.34
_cell_angle_alpha   105.14
_cell_angle_beta   105.14
_cell_angle_gamma   53.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg
_chemical_formula_sum   'Cu4 Ag4'
_cell_volume   107.67
_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  0.64  0.16  0.64  1.0
  Cu  Cu5  1  0.91  0.16  0.47  1.0
  Cu  Cu6  1  0.78  0.07  0.55  1.0
  Cu  Cu7  1  0.56  0.07  0.0  1.0
  Ag  Ag0  1  0.3  0.84  0.19  1.0
  Ag  Ag1  1  0.69  0.16  0.91  1.0
  Ag  Ag2  1  0.39  0.39  0.83  1.0
  Ag  Ag3  1  0.17  0.39  0.28  1.0

data_CuAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   5.11
_cell_length_c   5.34
_cell_angle_alpha   105.14
_cell_angle_beta   90.0
_cell_angle_gamma   116.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg
_chemical_formula_sum   'Cu4 Ag4'
_cell_volume   107.67
_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  Cu0  1  0.84  0.2  0.36  1.0
  Cu  Cu1  1  0.84  0.93  0.53  1.0
  Cu  Cu2  1  0.93  0.15  0.45  1.0
  Cu  Cu3  1  0.93  0.37  -0.0  1.0
  Ag  Ag4  1  0.16  0.85  0.81  1.0
  Ag  Ag5  1  0.61  0.23  0.17  1.0
  Ag  Ag6  1  0.61  0.45  0.72  1.0
  Ag  Ag7  1  0.84  0.15  0.09  1.0

Cu Cu Cu Cu Ag Ag Ag Ag