data_[Nd4Tm20Sc12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5518]
_cell_length_b [10.6367]
_cell_length_c [10.2900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdTm5Sc3]
_chemical_formula_sum '[Nd4 Tm20 Sc12]'
_cell_volume [1207.9219]
_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
[
  Nd  Nd0  4  0.2359  0.0000  0.3273  1
  Tm  Tm1  8  0.1006  0.2651  0.7373  1
  Tm  Tm2  4  0.0000  0.2806  0.0000  1
  Tm  Tm3  4  0.1513  0.0000  0.5932  1
  Tm  Tm4  4  0.1967  0.5000  0.0123  1
  Sc  Sc5  4  0.0281  0.0000  0.7646  1
  Sc  Sc6  4  0.0729  0.5000  0.2596  1
  Sc  Sc7  2  0.0000  0.0000  0.0000  1
  Sc  Sc8  2  0.0000  0.5000  0.5000  1
]