data_[La2Sm10Y8]
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
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.3263]
_cell_length_b [10.3263]
_cell_length_c [6.3472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [LaSm5Y4]
_chemical_formula_sum '[La2 Sm10 Y8]'
_cell_volume [676.8148]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.7797  1
  Sm  Sm1  8  0.1495  0.2276  0.0515  1
  Sm  Sm2  2  0.0000  0.0000  0.3210  1
  Y  Y3  8  0.0436  0.3448  0.5457  1
]