data_VPd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.75
_cell_angle_alpha   101.0
_cell_angle_beta   101.0
_cell_angle_gamma   116.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd2Au
_chemical_formula_sum   'V1 Pd2 Au1'
_cell_volume   62.61
_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  V3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.89  0.79  0.28  1.0
  Pd  Pd2  1  0.89  0.21  0.28  1.0
  Au  Au0  1  0.76  0.0  0.0  1.0

data_VPd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   117.45
_cell_angle_beta   101.0
_cell_angle_gamma   98.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd2Au
_chemical_formula_sum   'V1 Pd2 Au1'
_cell_volume   62.61
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.07  0.79  0.67  1.0
  Pd  Pd2  1  0.49  0.21  0.1  1.0
  Au  Au3  1  0.0  0.0  0.76  1.0

V Pd Pd Au
V Pd Pd Au 0 1 - - o 0 3 - o o 1 3 o + o 2 3 o o o 