data_[Sc20Sn4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2113]
_cell_length_b [8.5420]
_cell_length_c [9.2324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5SnRh]
_chemical_formula_sum '[Sc20 Sn4 Rh4]'
_cell_volume [645.1423]
_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  8  0.1581  0.2197  0.6553  1
  Sc  Sc1  8  0.1936  0.4117  0.0112  1
  Sc  Sc2  4  0.0000  0.1319  0.2500  1
  Sn  Sn3  4  0.0000  0.4767  0.2500  1
  Rh  Rh4  4  0.0000  0.0000  0.0000  1
]