data_Hf2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.7
_cell_angle_alpha   109.41
_cell_angle_beta   109.41
_cell_angle_gamma   33.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiAg
_chemical_formula_sum   'Hf2 Ni1 Ag1'
_cell_volume   72.41
_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  0.4  0.0  0.34  1.0
  Hf  Hf2  1  0.62  0.0  0.33  1.0
  Ni  Ni3  1  0.43  0.0  0.06  1.0
  Ag  Ag0  1  0.09  0.0  0.28  1.0

data_Hf2NiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.7
_cell_length_c   5.44
_cell_angle_alpha   109.41
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiAg
_chemical_formula_sum   'Hf2 Ni1 Ag1'
_cell_volume   72.41
_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  0.33  0.62  1.0
  Hf  Hf1  1  0.0  0.34  0.4  1.0
  Ni  Ni2  1  0.0  0.06  0.43  1.0
  Ag  Ag3  1  0.0  0.28  0.09  1.0

Hf Hf Ni Ag
Hf Hf Ni Ag 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 