data_Hf2ZrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.21
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrAg
_chemical_formula_sum   'Hf2 Zr1 Ag1'
_cell_volume   85.09
_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  0.18  0.0  0.02  1.0
  Hf  Hf2  1  0.57  0.11  0.55  1.0
  Zr  Zr3  1  0.95  0.0  0.12  1.0
  Ag  Ag0  1  0.5  0.11  0.73  1.0

data_Hf2ZrAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.21
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrAg
_chemical_formula_sum   'Hf2 Zr1 Ag1'
_cell_volume   85.09
_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  0.18  0.0  0.02  1.0
  Hf  Hf1  1  0.57  0.11  0.55  1.0
  Zr  Zr2  1  0.95  0.0  0.12  1.0
  Ag  Ag3  1  0.5  0.11  0.73  1.0

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