data_[La2Sm6Y2]
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 [P-1]
_cell_length_a [6.3030]
_cell_length_b [6.3203]
_cell_length_c [9.6307]
_cell_angle_alpha [109.0835]
_cell_angle_beta [102.4446]
_cell_angle_gamma [99.5567]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaSm3Y]
_chemical_formula_sum '[La2 Sm6 Y2]'
_cell_volume [342.2338]
_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  2  0.2496  0.7990  0.8496  1
  Sm  Sm1  2  0.2489  0.1985  0.6485  1
  Sm  Sm2  2  0.2511  0.4026  0.0516  1
  Sm  Sm3  2  0.2512  0.5994  0.4499  1
  Y  Y4  2  0.2515  0.9987  0.2529  1
]