data_InB2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.16
_cell_length_c   4.43
_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   59.63
_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  0.62  0.0  0.22  1.0
  B  B0  1  0.43  0.08  0.0  1.0
  B  B1  1  0.8  0.08  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_InB2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.16
_cell_length_c   4.43
_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   59.63
_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  0.62  0.0  0.22  1.0
  B  B1  1  0.43  0.08  -0.0  1.0
  B  B2  1  0.8  0.08  -0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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