data_BiBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.85
_cell_angle_alpha   104.01
_cell_angle_beta   104.01
_cell_angle_gamma   58.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiBRu2
_chemical_formula_sum   'Bi1 B1 Ru2'
_cell_volume   64.34
_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  Bi1  1  0.09  0.0  0.64  1.0
  B  B0  1  0.97  0.0  0.95  1.0
  Ru  Ru2  1  0.94  0.0  0.9  1.0
  Ru  Ru3  1  0.03  0.0  0.97  1.0

data_BiBRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.39
_cell_length_c   6.85
_cell_angle_alpha   104.01
_cell_angle_beta   90.0
_cell_angle_gamma   119.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiBRu2
_chemical_formula_sum   'Bi1 B1 Ru2'
_cell_volume   64.34
_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  Bi0  1  0.0  0.91  0.36  1.0
  B  B1  1  0.0  0.03  0.05  1.0
  Ru  Ru2  1  0.0  0.06  0.1  1.0
  Ru  Ru3  1  0.0  0.97  0.03  1.0

Bi B Ru Ru