data_Bi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   7.39
_cell_angle_alpha   105.72
_cell_angle_beta   105.72
_cell_angle_gamma   30.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Ru
_chemical_formula_sum   'Bi4 Ru2'
_cell_volume   151.86
_cell_formula_units_Z   2
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
  Bi  Bi0  1  0.03  0.0  0.54  1.0
  Bi  Bi1  1  0.73  0.0  0.87  1.0
  Bi  Bi2  1  0.75  0.0  0.23  1.0
  Bi  Bi3  1  0.45  0.0  0.55  1.0
  Ru  Ru4  1  0.85  0.0  0.86  1.0
  Ru  Ru5  1  0.63  0.0  0.23  1.0

data_Bi2Ru
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   6.5
_cell_length_c   7.39
_cell_angle_alpha   105.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.2
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Bi2Ru
_chemical_formula_sum   'Bi4 Ru2'
_cell_volume   151.86
_cell_formula_units_Z   2
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
  Bi  Bi0  2  0.0  0.01  0.68  1.0
  Bi  Bi1  2  0.0  0.29  1.0  1.0
  Ru  Ru2  2  0.0  0.11  0.32  1.0

Bi Bi Bi Bi Ru Ru
Bi Bi Bi Bi Ru Ru 0 5 - o o 0 2 - o o 0 4 - o o 0 3 o o o 1 4 o o o 1 3 o o o 2 5 o o o 3 5 o o o 3 4 o o o 