data_BRuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuSe2
_chemical_formula_sum   'B1 Ru1 Se2'
_cell_volume   65.94
_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  0.0  0.53  1.0
  Se  Se2  1  0.51  0.0  0.55  1.0
  Se  Se3  1  0.51  0.0  0.52  1.0

data_BRuSe2
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.02
_cell_length_b   7.06
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   116.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BRuSe2
_chemical_formula_sum   'B1 Ru1 Se2'
_cell_volume   65.94
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.47  0.0  1.0
  Se  Se2  1  0.0  0.45  0.5  1.0
  Se  Se3  1  0.0  0.48  0.5  1.0

B Ru Se Se