data_LaAl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.06
_cell_angle_alpha   110.27
_cell_angle_beta   110.27
_cell_angle_gamma   57.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Ag
_chemical_formula_sum   'La1 Al2 Ag1'
_cell_volume   92.57
_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  La3  1  0.71  0.0  0.79  1.0
  Al  Al1  1  0.25  0.0  0.72  1.0
  Al  Al2  1  0.17  0.0  0.85  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_LaAl2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.45
_cell_length_c   6.06
_cell_angle_alpha   110.27
_cell_angle_beta   90.0
_cell_angle_gamma   118.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Ag
_chemical_formula_sum   'La1 Al2 Ag1'
_cell_volume   92.57
_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  0.29  0.21  1.0
  Al  Al1  1  0.0  0.75  0.28  1.0
  Al  Al2  1  0.0  0.83  0.15  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

La Al Al Ag