data_[La16Sm6Y4]
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 [Cmmm]
_cell_length_a [7.7368]
_cell_length_b [20.7218]
_cell_length_c [5.9129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La8Sm3Y2]
_chemical_formula_sum '[La16 Sm6 Y4]'
_cell_volume [947.9638]
_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  8  0.2027  0.3948  0.5000  1
  La  La1  4  0.0000  0.1339  0.0000  1
  La  La2  4  0.0000  0.3262  0.0000  1
  Sm  Sm3  4  0.2186  0.5000  0.0000  1
  Sm  Sm4  2  0.0000  0.0000  0.5000  1
  Y  Y5  4  0.0000  0.2412  0.5000  1
]