data_Al2VAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   148.24
_cell_angle_beta   132.28
_cell_angle_gamma   58.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VAg
_chemical_formula_sum   'Al2 V1 Ag1'
_cell_volume   62.53
_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
  Al  Al1  1  0.0  0.0  0.02  1.0
  Al  Al2  1  0.0  0.2  0.26  1.0
  V  V3  1  0.0  0.0  0.81  1.0
  Ag  Ag0  1  0.49  0.0  0.42  1.0

data_Al2VAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.41
_cell_length_c   5.45
_cell_angle_alpha   113.86
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VAg
_chemical_formula_sum   'Al2 V1 Ag1'
_cell_volume   62.53
_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
  Al  Al0  1  0.74  0.94  0.94  1.0
  Al  Al1  1  0.98  0.98  0.98  1.0
  V  V2  1  0.19  0.19  0.19  1.0
  Ag  Ag3  1  0.07  0.58  0.07  1.0

Al Al V Ag