data_V2FeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.68
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeCu
_chemical_formula_sum   'V2 Fe1 Cu1'
_cell_volume   47.8
_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  0.76  0.0  0.85  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.76  0.84  0.0  1.0
  Cu  Cu0  1  0.0  0.84  0.85  1.0

data_V2FeCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.68
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeCu
_chemical_formula_sum   'V2 Fe1 Cu1'
_cell_volume   47.8
_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
  V  V1  1  0.76  0.0  0.85  1.0
  Fe  Fe2  1  0.76  0.84  0.0  1.0
  Cu  Cu3  1  0.0  0.84  0.85  1.0

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