data_[La2Sm6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.8177]
_cell_length_b [4.2436]
_cell_length_c [12.1332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(SmSe2)3]
_chemical_formula_sum '[La2 Sm6 Se12]'
_cell_volume [575.8065]
_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  0.0470  0.7500  0.6927  1.0
  Sm  Sm1  2  0.1590  0.7500  0.0854  1.0
  Sm  Sm2  2  0.3194  0.2500  0.4992  1.0
  Sm  Sm3  2  0.4380  0.7500  0.8327  1.0
  Se  Se4  2  0.0843  0.2500  0.9035  1.0
  Se  Se5  2  0.1161  0.7500  0.4638  1.0
  Se  Se6  2  0.1937  0.2500  0.2502  1.0
  Se  Se7  2  0.2598  0.2500  0.7262  1.0
  Se  Se8  2  0.3949  0.7500  0.0598  1.0
  Se  Se9  2  0.4812  0.7500  0.6136  1.0
]