data_BIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   147.47
_cell_angle_beta   127.54
_cell_angle_gamma   63.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr2Ru
_chemical_formula_sum   'B1 Ir2 Ru1'
_cell_volume   49.87
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.37  0.0  0.71  1.0
  Ir  Ir2  1  0.0  0.17  0.47  1.0
  Ru  Ru3  1  0.0  0.0  0.18  1.0

data_BIr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.34
_cell_length_c   4.91
_cell_angle_alpha   116.23
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr2Ru
_chemical_formula_sum   'B1 Ir2 Ru1'
_cell_volume   49.87
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.18  0.18  1.0
  Ir  Ir2  1  0.0  0.71  0.34  1.0
  Ir  Ir3  1  0.83  0.3  0.3  1.0

B Ir Ir Ru