data_VFe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   134.12
_cell_angle_beta   131.93
_cell_angle_gamma   68.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Au
_chemical_formula_sum   'V1 Fe2 Au1'
_cell_volume   54.15
_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  0.9  1.0
  Fe  Fe1  1  0.0  0.0  0.73  1.0
  Fe  Fe2  1  0.0  0.91  0.92  1.0
  Au  Au0  1  0.83  0.0  0.94  1.0

data_VFe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.82
_cell_length_c   4.69
_cell_angle_alpha   114.04
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Au
_chemical_formula_sum   'V1 Fe2 Au1'
_cell_volume   54.15
_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  0.9  0.9  1.0
  Fe  Fe1  1  0.0  0.73  0.73  1.0
  Fe  Fe2  1  0.09  0.01  0.01  1.0
  Au  Au3  1  0.0  0.94  0.12  1.0

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