data_CuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   7.85
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2
_chemical_formula_sum   'Cu2 Ag4'
_cell_volume   96.61
_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  0.0  0.0  0.0  1.0
  Cu  Cu5  1  0.39  0.93  0.22  1.0
  Ag  Ag0  1  0.63  0.63  0.0  1.0
  Ag  Ag1  1  0.76  0.55  0.22  1.0
  Ag  Ag2  1  0.01  0.3  0.22  1.0
  Ag  Ag3  1  0.15  0.23  0.0  1.0

data_CuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.43
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2
_chemical_formula_sum   'Cu2 Ag4'
_cell_volume   96.61
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.61  0.78  0.07  1.0
  Ag  Ag2  1  0.24  0.78  0.45  1.0
  Ag  Ag3  1  0.37  0.0  0.37  1.0
  Ag  Ag4  1  0.85  0.0  0.77  1.0
  Ag  Ag5  1  0.99  0.78  0.7  1.0

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