data_[Sc16Ni4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7518]
_cell_length_b [4.6767]
_cell_length_c [6.2567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ni2Rh]
_chemical_formula_sum '[Sc16 Ni4 Rh2]'
_cell_volume [436.3730]
_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  0.0329  0.0000  0.7888  1.0
  Sc  Sc1  4  0.0969  0.5000  0.4544  1.0
  Sc  Sc2  4  0.1717  0.5000  0.9742  1.0
  Sc  Sc3  4  0.1960  0.0000  0.3096  1.0
  Ni  Ni4  4  0.1822  0.0000  0.6986  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]