data_[La12Sm20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9678]
_cell_length_b [16.0973]
_cell_length_c [9.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Sm5Sc2]
_chemical_formula_sum '[La12 Sm20 Sc8]'
_cell_volume [1332.2633]
_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  8  0.1465  0.1266  0.0510  1
  La  La1  4  0.0000  0.2320  0.2500  1
  Sm  Sm2  8  0.2348  0.3867  0.2303  1
  Sm  Sm3  4  0.0000  0.0286  0.2500  1
  Sm  Sm4  4  0.0000  0.2756  0.7500  1
  Sm  Sm5  4  0.0000  0.4705  0.7500  1
  Sc  Sc6  8  0.1490  0.3847  0.5432  1
]