data_[Sc4B16Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.8559]
_cell_length_b [11.3452]
_cell_length_c [3.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [ScB4Rh]
_chemical_formula_sum '[Sc4 B16 Rh4]'
_cell_volume [228.4188]
_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
[
  Sc  Sc0  4  0.1322  0.8519  0.0000  1
  B  B1  4  0.0216  0.3047  0.5000  1
  B  B2  4  0.1151  0.4511  0.5000  1
  B  B3  4  0.1327  0.0293  0.5000  1
  B  B4  4  0.2023  0.1878  0.5000  1
  Rh  Rh5  4  0.1432  0.5957  0.0000  1
]