data_[B2H8Rh10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [6.4492]
_cell_length_b [6.4492]
_cell_length_c [4.2848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [BH4Rh5]
_chemical_formula_sum '[B2 H8 Rh10]'
_cell_volume [178.2137]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0159  1
  H  H1  8  0.1243  0.2940  0.4660  1
  Rh  Rh2  8  0.0990  0.3050  0.0243  1
  Rh  Rh3  2  0.0000  0.0000  0.5187  1
]