data_Hf2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.32
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   95.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiAg
_chemical_formula_sum   'Hf2 Ni1 Ag1'
_cell_volume   71.12
_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  0.2  0.66  0.15  1.0
  Hf  Hf2  1  0.36  0.66  0.5  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.67  0.0  0.32  1.0

data_Hf2NiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.32
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   95.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiAg
_chemical_formula_sum   'Hf2 Ni1 Ag1'
_cell_volume   71.12
_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  0.2  0.66  0.15  1.0
  Hf  Hf1  1  0.36  0.66  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.67  0.0  0.32  1.0

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