data_[Nd8Sm4Sc16]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.7739]
_cell_length_b [6.5381]
_cell_length_c [10.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.3375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Nd2SmSc4]
_chemical_formula_sum '[Nd8 Sm4 Sc16]'
_cell_volume [812.8159]
_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  0.2206  0.4909  0.4575  1
  Nd  Nd1  2  0.0000  0.3585  0.5000  1
  Nd  Nd2  2  0.0000  0.3622  0.0000  1
  Sm  Sm3  4  0.2218  0.4888  0.9839  1
  Sc  Sc4  4  0.0007  0.7013  0.7505  1
  Sc  Sc5  4  0.0009  0.1283  0.7525  1
  Sc  Sc6  4  0.1383  0.8289  0.6388  1
  Sc  Sc7  4  0.1422  0.8761  0.1417  1
]