data_BiB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Ru
_chemical_formula_sum   'Bi1 B2 Ru1'
_cell_volume   65.14
_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
  Bi  Bi2  1  0.57  0.0  0.74  1.0
  B  B0  1  0.57  0.0  0.21  1.0
  B  B1  1  0.0  0.0  0.69  1.0
  Ru  Ru3  1  0.0  0.0  0.16  1.0

data_BiB2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.17
_cell_length_b   5.46
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiB2Ru
_chemical_formula_sum   'Bi2 B4 Ru2'
_cell_volume   130.28
_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
  Bi  Bi0  2  0.43  0.0  0.26  1.0
  B  B1  2  0.0  0.0  0.31  1.0
  B  B2  2  0.43  0.0  0.79  1.0
  Ru  Ru3  2  0.0  0.0  0.84  1.0

Bi B B Ru
Bi B B Ru 0 2 + o o 1 3 + o o 