data_InB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.36
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2Ru
_chemical_formula_sum   'In1 B2 Ru1'
_cell_volume   52.11
_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
  In  In2  1  0.0  0.68  0.52  1.0
  B  B0  1  0.54  0.0  0.52  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.54  0.68  0.0  1.0

data_InB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.36
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB2Ru
_chemical_formula_sum   'In1 B2 Ru1'
_cell_volume   52.11
_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
  In  In0  1  0.0  0.68  0.52  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.54  0.0  0.52  1.0
  Ru  Ru3  1  0.54  0.68  0.0  1.0

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