data_[La4Sm2Y6Se12]
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 [C2/m]
_cell_length_a [18.3091]
_cell_length_b [4.1403]
_cell_length_c [8.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Sm(YSe2)3]
_chemical_formula_sum '[La4 Sm2 Y6 Se12]'
_cell_volume [616.4302]
_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  0.1659  0.0000  0.3321  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Y  Y2  4  0.1677  0.0000  0.8333  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0048  0.0000  0.7468  1.0
  Se  Se5  4  0.1628  0.5000  0.5930  1.0
  Se  Se6  4  0.1678  0.5000  0.0710  1.0
]