data_VBi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   134.62
_cell_angle_beta   134.62
_cell_angle_gamma   66.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ru
_chemical_formula_sum   'V1 Bi2 Ru1'
_cell_volume   81.51
_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
  Bi  Bi0  1  0.11  0.0  0.29  1.0
  Bi  Bi1  1  0.0  0.0  0.58  1.0
  Ru  Ru2  1  0.0  0.11  0.29  1.0

data_VBi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.47
_cell_angle_alpha   112.69
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBi2Ru
_chemical_formula_sum   'V1 Bi2 Ru1'
_cell_volume   81.51
_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
  Bi  Bi1  1  0.42  0.0  0.42  1.0
  Bi  Bi2  1  0.71  0.0  0.82  1.0
  Ru  Ru3  1  0.82  0.11  0.82  1.0

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