data_VNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.47
_cell_angle_alpha   100.34
_cell_angle_beta   100.34
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiRu2
_chemical_formula_sum   'V1 Ni1 Ru2'
_cell_volume   52.67
_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  0.26  1.0
  Ni  Ni0  1  0.57  0.0  0.26  1.0
  Ru  Ru1  1  0.8  0.0  0.0  1.0
  Ru  Ru2  1  0.39  0.0  0.07  1.0

data_VNiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.47
_cell_length_c   4.61
_cell_angle_alpha   100.34
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiRu2
_chemical_formula_sum   'V1 Ni1 Ru2'
_cell_volume   52.67
_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  0.26  0.0  1.0
  Ni  Ni1  1  0.0  0.26  0.57  1.0
  Ru  Ru2  1  0.0  0.0  0.8  1.0
  Ru  Ru3  1  0.0  0.07  0.39  1.0

V Ni Ru Ru