data_[La8Sm8Y4]
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 [Imma]
_cell_length_a [3.6205]
_cell_length_b [5.8152]
_cell_length_c [33.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La2Sm2Y]
_chemical_formula_sum '[La8 Sm8 Y4]'
_cell_volume [697.0160]
_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  0.2500  0.2920  1
  La  La1  4  0.0000  0.2500  0.8122  1
  Sm  Sm2  4  0.0000  0.2500  0.0214  1
  Sm  Sm3  4  0.0000  0.2500  0.1177  1
  Y  Y4  4  0.0000  0.2500  0.5748  1
]