data_ReB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2Ru
_chemical_formula_sum   'Re1 B2 Ru1'
_cell_volume   44.18
_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
  Re  Re2  1  0.0  0.0  0.04  1.0
  B  B0  1  0.5  0.0  0.49  1.0
  B  B1  1  0.5  0.0  0.58  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_ReB2Ru
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.85
_cell_length_b   6.07
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   116.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ReB2Ru
_chemical_formula_sum   'Re1 B2 Ru1'
_cell_volume   44.18
_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
  Re  Re0  1  0.0  0.96  0.0  1.0
  B  B1  1  0.5  0.42  0.0  1.0
  B  B2  1  0.5  0.51  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Re B B Ru
Re B B Ru 0 3 o o o 1 2 o o o 