data_[B1H1Rh2]
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 [P-1]
_cell_length_a [2.8099]
_cell_length_b [3.0490]
_cell_length_c [5.4343]
_cell_angle_alpha [90.3150]
_cell_angle_beta [101.0854]
_cell_angle_gamma [117.2724]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BHRh2]
_chemical_formula_sum '[B1 H1 Rh2]'
_cell_volume [40.3759]
_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
[
  B  B0  1  0.5000  0.5000  0.5000  1.0
  H  H1  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  2  0.3047  0.9432  0.7378  1.0
]