data_[Nd3Sc9Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6596]
_cell_length_b [4.6596]
_cell_length_c [23.3314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdSc3Rh4]
_chemical_formula_sum '[Nd3 Sc9 Rh12]'
_cell_volume [438.6967]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  3  0.0000  0.0000  0.0000  1
  Sc  Sc1  6  0.0000  0.0000  0.2449  1
  Sc  Sc2  3  -0.0000  -0.0000  0.5000  1
  Rh  Rh3  6  0.0000  0.0000  0.1285  1
  Rh  Rh4  6  0.0000  0.0000  0.3820  1
]