data_[La4Sm8Y20Sc4]
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
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.6318]
_cell_length_b [19.9142]
_cell_length_c [10.4547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaSm2Y5Sc]
_chemical_formula_sum '[La4 Sm8 Y20 Sc4]'
_cell_volume [1172.5114]
_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  0.4138  0.4509  1
  Sm  Sm1  4  0.0000  0.1112  0.3136  1
  Sm  Sm2  4  0.0000  0.1146  0.7333  1
  Y  Y3  4  0.0000  0.0168  0.0193  1
  Y  Y4  4  0.0000  0.2736  0.3315  1
  Y  Y5  4  0.0000  0.2953  0.7034  1
  Y  Y6  4  0.0000  0.3710  0.0200  1
  Y  Y7  4  0.0000  0.4812  0.7372  1
  Sc  Sc8  4  0.0000  0.1941  0.0147  1
]