data_B2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2RuAu
_chemical_formula_sum   'B2 Ru1 Au1'
_cell_volume   45.52
_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  B1  1  0.0  0.0  0.11  1.0
  B  B2  1  0.46  0.46  0.41  1.0
  Ru  Ru3  1  0.0  0.0  0.15  1.0
  Au  Au0  1  0.46  0.46  0.38  1.0

data_B2RuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2RuAu
_chemical_formula_sum   'B4 Ru2 Au2'
_cell_volume   91.05
_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
  B  B0  2  0.0  0.0  0.11  1.0
  B  B1  2  0.46  0.0  0.41  1.0
  Ru  Ru2  2  0.0  0.0  0.15  1.0
  Au  Au3  2  0.46  0.0  0.38  1.0

B B Ru Au
B B Ru Au 0 2 o o o 1 3 o o o 