data_Cu3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Ag
_chemical_formula_sum   'Cu6 Ag2'
_cell_volume   98.57
_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  Cu2  1  0.12  0.09  0.18  1.0
  Cu  Cu3  1  0.12  0.91  0.73  1.0
  Cu  Cu4  1  0.17  0.03  0.18  1.0
  Cu  Cu5  1  0.06  0.97  0.73  1.0
  Cu  Cu6  1  0.06  0.03  0.18  1.0
  Cu  Cu7  1  0.17  0.97  0.73  1.0
  Ag  Ag0  1  0.12  0.97  0.18  1.0
  Ag  Ag1  1  0.12  0.03  0.73  1.0

data_Cu3Ag
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   2.91
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Cu3Ag
_chemical_formula_sum   'Cu6 Ag2'
_cell_volume   98.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  4  0.27  0.06  0.97  1.0
  Cu  Cu1  2  0.27  0.0  0.91  1.0
  Ag  Ag2  2  0.27  0.0  0.03  1.0

Cu Cu Cu Cu Cu Cu Ag Ag