data_BeBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   4.98
_cell_angle_alpha   103.82
_cell_angle_beta   103.82
_cell_angle_gamma   47.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBRu2
_chemical_formula_sum   'Be1 B1 Ru2'
_cell_volume   43.91
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  B  B0  1  0.56  0.0  0.41  1.0
  Ru  Ru2  1  0.57  0.0  0.49  1.0
  Ru  Ru3  1  0.55  0.0  0.32  1.0

data_BeBRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.51
_cell_length_c   4.98
_cell_angle_alpha   103.82
_cell_angle_beta   90.0
_cell_angle_gamma   113.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBRu2
_chemical_formula_sum   'Be1 B1 Ru2'
_cell_volume   43.91
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.44  0.59  1.0
  Ru  Ru2  1  0.0  0.43  0.51  1.0
  Ru  Ru3  1  0.0  0.45  0.68  1.0

Be B Ru Ru
Be B Ru Ru 0 2 - o - 0 2 o o o 0 1 - o - 0 1 - o o 0 1 o o o 0 0 + - o 0 3 - o o 0 3 o o o 0 3 - + o 1 3 o o o 1 2 o o o 