data_[Nd3Tm3Sc6Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1745]
_cell_length_b [5.1745]
_cell_length_c [25.4936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdTm(ScCd2)2]
_chemical_formula_sum '[Nd3 Tm3 Sc6 Cd12]'
_cell_volume [591.1572]
_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
  Tm  Tm1  3  -0.0000  -0.0000  0.5000  1
  Sc  Sc2  6  0.0000  0.0000  0.2487  1
  Cd  Cd3  6  0.0000  0.0000  0.1271  1
  Cd  Cd4  6  0.0000  0.0000  0.3780  1
]