data_La2HfAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   5.47
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfAg
_chemical_formula_sum   'La2 Hf1 Ag1'
_cell_volume   104.46
_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
  La  La2  1  0.73  0.74  0.0  1.0
  La  La3  1  0.0  0.74  0.76  1.0
  Hf  Hf1  1  0.73  0.0  0.76  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_La2HfAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.47
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HfAg
_chemical_formula_sum   'La2 Hf1 Ag1'
_cell_volume   104.46
_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
  La  La0  1  0.0  0.74  0.76  1.0
  La  La1  1  0.73  0.74  0.0  1.0
  Hf  Hf2  1  0.73  0.0  0.76  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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