data_Hf3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Ag
_chemical_formula_sum   'Hf6 Ag2'
_cell_volume   168.09
_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
  Hf  Hf2  1  0.0  0.77  0.88  1.0
  Hf  Hf3  1  0.06  0.53  0.29  1.0
  Hf  Hf4  1  0.53  0.42  0.88  1.0
  Hf  Hf5  1  0.53  0.89  0.29  1.0
  Hf  Hf6  1  0.47  0.42  0.88  1.0
  Hf  Hf7  1  0.59  0.89  0.29  1.0
  Ag  Ag0  1  0.06  0.77  0.88  1.0
  Ag  Ag1  1  0.0  0.54  0.29  1.0

data_Hf3Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.17
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf3Ag
_chemical_formula_sum   'Hf6 Ag2'
_cell_volume   168.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Hf0  2  0.21  0.03  0.38  1.0
  Hf  Hf1  2  0.21  0.5  0.73  1.0
  Hf  Hf2  2  0.21  0.56  0.73  1.0
  Ag  Ag3  2  0.21  0.97  0.38  1.0

Hf Hf Hf Hf Hf Hf Ag Ag
Hf Hf Hf Hf Hf Hf Ag Ag 0 6 o o o 1 7 o o o 2 4 o o o 3 5 o o o 