data_SrHfAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.69
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   92.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfAg2
_chemical_formula_sum   'Sr1 Hf1 Ag2'
_cell_volume   96.03
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.85  0.0  0.74  1.0
  Ag  Ag0  1  0.63  0.84  0.25  1.0
  Ag  Ag1  1  0.55  0.84  0.23  1.0

data_SrHfAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.69
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   92.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfAg2
_chemical_formula_sum   'Sr1 Hf1 Ag2'
_cell_volume   96.03
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.85  0.0  0.74  1.0
  Ag  Ag2  1  0.55  0.84  0.23  1.0
  Ag  Ag3  1  0.63  0.84  0.25  1.0

Sr Hf Ag Ag
Sr Hf Ag Ag 0 3 - - o 0 2 - - o 0 1 - o - 2 3 o o o 