data_[La4Y24Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2889]
_cell_length_b [14.5139]
_cell_length_c [6.4549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La(Y3Sc)2]
_chemical_formula_sum '[La4 Y24 Sc8]'
_cell_volume [1128.5232]
_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
[
  La  La0  4  0.0000  0.0959  0.2500  1
  Y  Y1  8  0.0480  0.3109  0.0183  1
  Y  Y2  8  0.1595  0.0994  0.8047  1
  Y  Y3  8  0.2369  0.3228  0.6903  1
  Sc  Sc4  8  0.1228  0.4866  0.3649  1
]