data_VRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRu
_chemical_formula_sum   'V4 Ru4'
_cell_volume   111.1
_cell_formula_units_Z   4
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  0.94  1.0
  V  V5  1  0.0  0.0  0.98  1.0
  V  V6  1  0.0  0.32  0.98  1.0
  V  V7  1  0.01  0.16  0.94  1.0
  Ru  Ru0  1  0.0  0.32  0.57  1.0
  Ru  Ru1  1  0.01  0.16  0.61  1.0
  Ru  Ru2  1  0.01  0.16  0.35  1.0
  Ru  Ru3  1  0.0  0.32  0.31  1.0

data_VRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   6.97
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VRu
_chemical_formula_sum   'V8 Ru8'
_cell_volume   222.21
_cell_formula_units_Z   8
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  0.94  1.0
  V  V1  2  0.0  0.0  0.98  1.0
  V  V2  2  0.16  0.0  0.94  1.0
  V  V3  2  0.32  0.0  0.98  1.0
  Ru  Ru4  2  0.16  0.0  0.35  1.0
  Ru  Ru5  2  0.16  0.0  0.61  1.0
  Ru  Ru6  2  0.32  0.0  0.31  1.0
  Ru  Ru7  2  0.32  0.0  0.57  1.0

V V V V Ru Ru Ru Ru
V V V V Ru Ru Ru Ru 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 4 5 o o o 6 7 o o o 