data_[La4Sm8Y8]
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 [Cmc2_1]
_cell_length_a [5.5855]
_cell_length_b [17.1837]
_cell_length_c [7.1411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La(SmY)2]
_chemical_formula_sum '[La4 Sm8 Y8]'
_cell_volume [685.4068]
_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  0.3932  0.0782  1.0
  Sm  Sm1  4  0.0000  0.1981  0.3266  1.0
  Sm  Sm2  4  0.0000  0.3880  0.5756  1.0
  Y  Y3  4  0.0000  0.0000  0.3275  1.0
  Y  Y4  4  0.0000  0.1982  0.8264  1.0
]