data_[Sc6B4Rh10]
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 [P4/mbm]
_cell_length_a [9.5268]
_cell_length_b [9.5268]
_cell_length_c [3.1150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc3B2Rh5]
_chemical_formula_sum '[Sc6 B4 Rh10]'
_cell_volume [282.7170]
_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
[
  Sc  Sc0  4  0.1748  0.3252  0.0000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.1222  0.6222  0.0000  1.0
  Rh  Rh3  8  0.0715  0.7772  0.5000  1.0
  Rh  Rh4  2  0.0000  0.5000  0.5000  1.0
]