data_VAgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgPd
_chemical_formula_sum   'V1 Ag1 Pd1'
_cell_volume   46.41
_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
  V  V2  1  0.0  0.0  0.56  1.0
  Ag  Ag0  1  0.23  0.28  0.01  1.0
  Pd  Pd1  1  0.0  0.57  0.14  1.0

data_VAgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgPd
_chemical_formula_sum   'V1 Ag1 Pd1'
_cell_volume   46.41
_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
  V  V0  1  0.56  0.0  0.0  1.0
  Ag  Ag1  1  0.01  0.23  0.28  1.0
  Pd  Pd2  1  0.14  0.0  0.57  1.0

V Ag Pd
V Ag Pd 0 1 o o o 0 1 o o + 0 2 o - + 0 2 o - o 1 2 o o o 