data_[La16Sm4Y6]
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 [C2/m]
_cell_length_a [13.4297]
_cell_length_b [12.0327]
_cell_length_c [6.1703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Sm2Y3]
_chemical_formula_sum '[La16 Sm4 Y6]'
_cell_volume [927.2624]
_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  0.1657  0.2442  0.6552  1
  La  La1  4  0.0594  0.5000  0.7758  1
  La  La2  4  0.1446  0.0000  0.0846  1
  Sm  Sm3  4  0.1999  0.5000  0.3460  1
  Y  Y4  4  0.0000  0.2547  0.0000  1
  Y  Y5  2  0.0000  0.0000  0.5000  1
]