data_V2CrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   141.03
_cell_angle_beta   127.12
_cell_angle_gamma   67.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrAu
_chemical_formula_sum   'V2 Cr1 Au1'
_cell_volume   55.73
_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  0.15  0.19  1.0
  V  V3  1  0.61  0.0  0.83  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.02  1.0

data_V2CrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.3
_cell_length_c   4.83
_cell_angle_alpha   116.44
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrAu
_chemical_formula_sum   'V2 Cr1 Au1'
_cell_volume   55.73
_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  0.78  0.17  0.78  1.0
  V  V1  1  0.81  0.96  0.96  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.98  0.98  0.98  1.0

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