data_VFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Pt
_chemical_formula_sum   'V1 Fe2 Pt1'
_cell_volume   52.3
_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
  Fe  Fe0  1  0.52  0.52  0.27  1.0
  Fe  Fe1  1  0.52  0.52  0.39  1.0
  Pt  Pt2  1  0.0  0.0  0.83  1.0

data_VFe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFe2Pt
_chemical_formula_sum   'V2 Fe4 Pt2'
_cell_volume   104.6
_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  2  0.02  0.5  0.27  1.0
  Fe  Fe2  2  0.02  0.5  0.39  1.0
  Pt  Pt3  2  0.0  0.0  0.83  1.0

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