data_[In8B16Ru20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.9663]
_cell_length_b [11.4547]
_cell_length_c [5.5638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [In2B4Ru5]
_chemical_formula_sum '[In8 B16 Ru20]'
_cell_volume [571.4393]
_cell_formula_units_Z [4]
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  8  0.0000  0.1596  0.0007  1
  B  B1  16  0.1623  0.1260  0.4957  1
  Ru  Ru2  8  0.1969  0.0000  0.2147  1
  Ru  Ru3  8  0.2500  0.2500  0.2367  1
  Ru  Ru4  4  0.0000  0.0000  0.6121  1
]