data_[Sc8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7827]
_cell_length_b [3.5613]
_cell_length_c [7.4472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Rh]
_chemical_formula_sum '[Sc8 Rh4]'
_cell_volume [245.4821]
_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  0.0885  0.0000  0.3768  1.0
  Sc  Sc1  4  0.1654  0.5000  0.0748  1.0
  Rh  Rh2  4  0.1395  0.5000  0.6877  1.0
]