data_Cu7Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu7Ag
_chemical_formula_sum   'Cu7 Ag1'
_cell_volume   93.57
_cell_formula_units_Z   1
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  Cu1  1  0.29  0.0  0.02  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.43  0.0  0.02  1.0
  Cu  Cu4  1  0.43  0.02  0.0  1.0
  Cu  Cu5  1  0.86  0.02  0.02  1.0
  Cu  Cu6  1  0.43  0.98  0.0  1.0
  Cu  Cu7  1  0.86  0.98  0.02  1.0
  Ag  Ag0  1  0.86  0.0  0.0  1.0

data_Cu7Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   109.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu7Ag
_chemical_formula_sum   'Cu7 Ag1'
_cell_volume   93.57
_cell_formula_units_Z   1
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  0.0  0.43  0.02  1.0
  Cu  Cu2  1  0.0  0.43  0.98  1.0
  Cu  Cu3  1  0.02  0.29  0.0  1.0
  Cu  Cu4  1  0.02  0.43  0.0  1.0
  Cu  Cu5  1  0.02  0.86  0.02  1.0
  Cu  Cu6  1  0.02  0.86  0.98  1.0
  Ag  Ag7  1  0.0  0.86  0.0  1.0

Cu Cu Cu Cu Cu Cu Cu Ag