data_HfTiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.84
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   91.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiAg2
_chemical_formula_sum   'Hf1 Ti1 Ag2'
_cell_volume   74.6
_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  Hf2  1  0.13  0.42  0.31  1.0
  Ti  Ti3  1  0.92  0.0  0.19  1.0
  Ag  Ag0  1  0.48  0.42  0.91  1.0
  Ag  Ag1  1  0.57  0.0  0.52  1.0

data_HfTiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.84
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   91.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiAg2
_chemical_formula_sum   'Hf1 Ti1 Ag2'
_cell_volume   74.6
_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  0.13  0.42  0.31  1.0
  Ti  Ti1  1  0.92  0.0  0.19  1.0
  Ag  Ag2  1  0.48  0.42  0.91  1.0
  Ag  Ag3  1  0.57  0.0  0.52  1.0

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