data_VFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.61
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeRu2
_chemical_formula_sum   'V1 Fe1 Ru2'
_cell_volume   52.11
_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  0.0  0.0  0.69  1.0
  Ru  Ru1  1  0.34  0.8  0.97  1.0
  Ru  Ru2  1  0.34  0.8  0.4  1.0

data_VFeRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.61
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeRu2
_chemical_formula_sum   'V1 Fe1 Ru2'
_cell_volume   52.11
_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
  Fe  Fe1  1  0.0  0.0  0.69  1.0
  Ru  Ru2  1  0.34  0.8  0.4  1.0
  Ru  Ru3  1  0.34  0.8  0.97  1.0

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