data_V2BRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   24.55
_cell_angle_beta   24.55
_cell_angle_gamma   24.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BRu
_chemical_formula_sum   'V2 B1 Ru1'
_cell_volume   47.9
_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  0.0  0.0  0.45  1.0
  V  V3  1  0.0  0.0  0.35  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.9  1.0

data_V2BRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.9
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   104.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2BRu
_chemical_formula_sum   'V4 B2 Ru2'
_cell_volume   95.81
_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  0.55  1.0
  V  V1  2  -0.0  0.0  0.65  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.1  1.0

V V B Ru
V V B Ru 0 1 o o o 2 3 o o - 