data_V(FePt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   150.62
_cell_angle_beta   150.62
_cell_angle_gamma   42.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V(FePt)2
_chemical_formula_sum   'V1 Fe2 Pt2'
_cell_volume   70.16
_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  V4  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.68  0.1  1.0
  Fe  Fe1  1  0.68  0.0  0.1  1.0
  Pt  Pt2  1  0.0  0.0  0.46  1.0
  Pt  Pt3  1  0.0  0.0  0.92  1.0

data_V(FePt)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   111.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V(FePt)2
_chemical_formula_sum   'V2 Fe4 Pt4'
_cell_volume   140.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  4  0.34  0.34  0.59  1.0
  Pt  Pt2  2  0.0  0.0  0.08  1.0
  Pt  Pt3  2  0.0  0.0  0.54  1.0

V Fe Fe Pt Pt
V Fe Fe Pt Pt 0 4 o o - 1 3 o + o 2 3 + o o 