data_HfTi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   146.43
_cell_angle_beta   129.59
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Ag
_chemical_formula_sum   'Hf1 Ti2 Ag1'
_cell_volume   73.46
_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  0.0  0.38  0.38  1.0
  Ti  Ti2  1  0.0  0.0  0.06  1.0
  Ti  Ti3  1  0.61  0.0  0.41  1.0
  Ag  Ag0  1  0.0  0.0  0.73  1.0

data_HfTi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.76
_cell_length_c   5.58
_cell_angle_alpha   115.2
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Ag
_chemical_formula_sum   'Hf1 Ti2 Ag1'
_cell_volume   73.46
_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  0.62  1.0  1.0  1.0
  Ti  Ti1  1  0.0  0.06  0.06  1.0
  Ti  Ti2  1  0.0  0.41  0.8  1.0
  Ag  Ag3  1  0.0  0.73  0.73  1.0

Hf Ti Ti Ag