data_Hf4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.61
_cell_length_b   12.61
_cell_length_c   12.61
_cell_angle_alpha   14.43
_cell_angle_beta   14.43
_cell_angle_gamma   14.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Ag
_chemical_formula_sum   'Hf4 Ag1'
_cell_volume   108.39
_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
  Hf  Hf1  1  0.0  0.0  0.92  1.0
  Hf  Hf2  1  0.0  0.0  0.84  1.0
  Hf  Hf3  1  0.0  0.0  0.58  1.0
  Hf  Hf4  1  0.0  0.0  0.51  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Hf4Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   98.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf4Ag
_chemical_formula_sum   'Hf8 Ag2'
_cell_volume   216.77
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.0  0.0  0.08  1.0
  Hf  Hf1  2  0.0  0.0  0.16  1.0
  Hf  Hf2  2  0.0  0.0  0.42  1.0
  Hf  Hf3  2  0.0  0.0  0.49  1.0
  Ag  Ag4  2  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Ag
Hf Hf Hf Hf Ag 0 1 o o o 0 4 o o + 2 3 o o o 