data_[La3Y24Sc12]
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 [R-3m]
_cell_length_a [7.1702]
_cell_length_b [7.1702]
_cell_length_c [26.4404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La(Y2Sc)4]
_chemical_formula_sum '[La3 Y24 Sc12]'
_cell_volume [1177.2178]
_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
[
  La  La0  3  -0.0000  -0.0000  0.5000  1
  Y  Y1  18  0.0310  0.5155  0.7645  1
  Y  Y2  6  0.0000  0.0000  0.2209  1
  Sc  Sc3  9  0.0000  0.5000  0.0000  1
  Sc  Sc4  3  0.0000  0.0000  0.0000  1
]