data_Al2VPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   135.3
_cell_angle_beta   135.3
_cell_angle_gamma   65.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VPd
_chemical_formula_sum   'Al2 V1 Pd1'
_cell_volume   59.05
_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  0.0  0.88  0.09  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.17  1.0
  Pd  Pd2  1  0.88  0.0  0.09  1.0

data_Al2VPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   4.95
_cell_angle_alpha   112.35
_cell_angle_beta   112.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VPd
_chemical_formula_sum   'Al2 V1 Pd1'
_cell_volume   59.05
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.2  0.09  0.2  1.0
  V  V2  1  0.17  0.17  0.17  1.0
  Pd  Pd3  1  0.09  0.2  0.2  1.0

Al Al V Pd