data_V2SiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SiRu
_chemical_formula_sum   'V2 Si1 Ru1'
_cell_volume   53.96
_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  V2  1  0.52  0.0  0.04  1.0
  V  V3  1  0.0  0.0  0.95  1.0
  Si  Si1  1  0.0  0.0  0.98  1.0
  Ru  Ru0  1  0.52  0.0  0.86  1.0

data_V2SiRu
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.72
_cell_length_b   7.89
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   112.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   V2SiRu
_chemical_formula_sum   'V2 Si1 Ru1'
_cell_volume   53.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.05  0.0  1.0
  V  V1  1  0.5  0.96  0.0  1.0
  Si  Si2  1  0.0  0.02  0.0  1.0
  Ru  Ru3  1  0.5  0.14  0.0  1.0

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