data_HfFeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   4.34
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeAg2
_chemical_formula_sum   'Hf1 Fe1 Ag2'
_cell_volume   68.21
_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  Hf3  1  0.63  0.17  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.63  0.0  0.41  1.0
  Ag  Ag1  1  0.0  0.17  0.41  1.0

data_HfFeAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.34
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeAg2
_chemical_formula_sum   'Hf1 Fe1 Ag2'
_cell_volume   68.21
_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  0.63  0.17  -0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.17  0.41  1.0
  Ag  Ag3  1  0.63  0.0  0.41  1.0

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