data_CuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   5.07
_cell_length_c   6.67
_cell_angle_alpha   78.02
_cell_angle_beta   82.39
_cell_angle_gamma   79.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2
_chemical_formula_sum   'Cu2 Ag4'
_cell_volume   85.96
_cell_formula_units_Z   2
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  0.77  0.5  0.33  1.0
  Cu  Cu5  1  0.65  0.75  0.16  1.0
  Ag  Ag0  1  0.53  1.0  0.33  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.88  0.25  0.16  1.0
  Ag  Ag3  1  0.77  0.5  0.0  1.0

data_CuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   5.07
_cell_length_c   6.67
_cell_angle_alpha   78.02
_cell_angle_beta   82.39
_cell_angle_gamma   79.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2
_chemical_formula_sum   'Cu2 Ag4'
_cell_volume   85.96
_cell_formula_units_Z   2
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  0.65  0.75  0.16  1.0
  Cu  Cu1  1  0.77  0.5  0.33  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.53  1.0  0.33  1.0
  Ag  Ag4  1  0.77  0.5  -0.0  1.0
  Ag  Ag5  1  0.88  0.25  0.16  1.0

Cu Cu Ag Ag Ag Ag