data_Li2HfAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.14
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   31.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfAg
_chemical_formula_sum   'Li2 Hf1 Ag1'
_cell_volume   73.69
_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
  Li  Li2  1  0.94  0.0  0.9  1.0
  Li  Li3  1  0.27  0.0  0.17  1.0
  Hf  Hf1  1  0.61  0.0  0.53  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Li2HfAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.14
_cell_length_c   5.26
_cell_angle_alpha   99.82
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfAg
_chemical_formula_sum   'Li2 Hf1 Ag1'
_cell_volume   73.69
_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
  Li  Li0  1  0.0  0.17  0.27  1.0
  Li  Li1  1  0.0  0.9  0.94  1.0
  Hf  Hf2  1  0.0  0.53  0.61  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Li Li Hf Ag