data_CuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2
_chemical_formula_sum   'Cu2 Ag4'
_cell_volume   86.32
_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  0.36  0.36  0.0  1.0
  Cu  Cu5  1  0.0  0.73  0.0  1.0
  Ag  Ag0  1  0.15  0.0  0.23  1.0
  Ag  Ag1  1  0.79  0.36  0.23  1.0
  Ag  Ag2  1  0.42  0.73  0.23  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

data_CuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   120.0
_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   86.32
_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  0.73  1.0
  Cu  Cu1  1  0.0  0.36  0.36  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.23  0.15  0.0  1.0
  Ag  Ag4  1  0.23  0.42  0.73  1.0
  Ag  Ag5  1  0.23  0.79  0.36  1.0

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