data_[Nd4Sm8Y16Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8010]
_cell_length_b [11.7770]
_cell_length_c [13.1619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NdSm2Y4Sc]
_chemical_formula_sum '[Nd4 Sm8 Y16 Sc4]'
_cell_volume [1054.2124]
_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  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.0000  0.5000  1
  Sm  Sm2  4  0.2500  0.2500  0.2500  1
  Y  Y3  8  0.0000  0.0145  0.7498  1
  Y  Y4  8  0.2496  0.2500  0.5133  1
  Sc  Sc5  4  0.2500  0.2500  0.7500  1
]