data_Hf2AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   4.95
_cell_angle_alpha   113.94
_cell_angle_beta   113.94
_cell_angle_gamma   32.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlAg
_chemical_formula_sum   'Hf2 Al1 Ag1'
_cell_volume   77.43
_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  Hf2  1  0.97  0.0  0.47  1.0
  Hf  Hf3  1  0.07  0.0  0.39  1.0
  Al  Al1  1  0.75  0.0  0.23  1.0
  Ag  Ag0  1  0.26  0.0  0.13  1.0

data_Hf2AlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.95
_cell_length_c   5.65
_cell_angle_alpha   113.94
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlAg
_chemical_formula_sum   'Hf2 Al1 Ag1'
_cell_volume   77.43
_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  Hf0  1  0.0  0.39  0.07  1.0
  Hf  Hf1  1  0.0  0.47  0.97  1.0
  Al  Al2  1  0.0  0.23  0.75  1.0
  Ag  Ag3  1  0.0  0.13  0.26  1.0

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