data_BRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.46
_cell_angle_alpha   106.36
_cell_angle_beta   106.36
_cell_angle_gamma   48.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuAu2
_chemical_formula_sum   'B1 Ru1 Au2'
_cell_volume   61.04
_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  B2  1  0.58  0.0  0.64  1.0
  Ru  Ru3  1  0.57  0.0  0.16  1.0
  Au  Au0  1  0.58  0.0  0.15  1.0
  Au  Au1  1  0.91  0.0  0.27  1.0

data_BRuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.65
_cell_length_c   6.46
_cell_angle_alpha   106.36
_cell_angle_beta   90.0
_cell_angle_gamma   114.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuAu2
_chemical_formula_sum   'B1 Ru1 Au2'
_cell_volume   61.04
_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  0.42  0.36  1.0
  Ru  Ru1  1  0.0  0.43  0.84  1.0
  Au  Au2  1  0.0  0.09  0.73  1.0
  Au  Au3  1  0.0  0.42  0.85  1.0

B Ru Au Au