data_[La5Sm1Y4]
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 [P4/mmm]
_cell_length_a [3.7089]
_cell_length_b [3.7089]
_cell_length_c [25.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La5SmY4]
_chemical_formula_sum '[La5 Sm1 Y4]'
_cell_volume [348.6331]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1007  1
  La  La1  2  0.5000  0.5000  0.3005  1
  La  La2  1  0.5000  0.5000  0.5000  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  Y  Y4  2  0.0000  0.0000  0.2009  1
  Y  Y5  2  0.0000  0.0000  0.4002  1
]