data_[La3Sm6Y3Se18]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4156]
_cell_length_b [7.4156]
_cell_length_c [19.7329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaSm2YSe6]
_chemical_formula_sum '[La3 Sm6 Y3 Se18]'
_cell_volume [939.7572]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1879  1.0
  Sm  Sm1  3  0.0000  0.0000  0.4814  1.0
  Sm  Sm2  3  0.0000  0.0000  0.9856  1.0
  Y  Y3  3  0.0000  0.0000  0.6816  1.0
  Se  Se4  9  0.0139  0.7129  0.5838  1.0
  Se  Se5  9  0.0309  0.3568  0.7501  1.0
]