data_[La8Sm6Y2]
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 [Pmn2_1]
_cell_length_a [11.9808]
_cell_length_b [7.3925]
_cell_length_c [6.4559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La4Sm3Y]
_chemical_formula_sum '[La8 Sm6 Y2]'
_cell_volume [571.7881]
_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  4  0.2498  0.1273  0.9766  1.0
  La  La1  2  0.0000  0.1264  0.6509  1.0
  La  La2  2  0.0000  0.8777  0.1524  1.0
  Sm  Sm3  4  0.2498  0.6232  0.9797  1.0
  Sm  Sm4  2  0.0000  0.6231  0.6496  1.0
  Y  Y5  2  0.0000  0.3790  0.1498  1.0
]