data_ZrAl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.14
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   35.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Ag
_chemical_formula_sum   'Zr1 Al2 Ag1'
_cell_volume   74.11
_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
  Zr  Zr3  1  0.29  0.0  0.57  1.0
  Al  Al1  1  0.48  0.0  0.01  1.0
  Al  Al2  1  0.61  0.0  0.84  1.0
  Ag  Ag0  1  0.92  0.0  0.1  1.0

data_ZrAl2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.07
_cell_length_c   5.14
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Ag
_chemical_formula_sum   'Zr1 Al2 Ag1'
_cell_volume   74.11
_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
  Zr  Zr0  1  0.0  0.71  0.43  1.0
  Al  Al1  1  0.0  0.39  0.16  1.0
  Al  Al2  1  0.0  0.52  0.99  1.0
  Ag  Ag3  1  0.0  0.08  0.9  1.0

Zr Al Al Ag