data_[La18Sm6Se36]
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 [R-3]
_cell_length_a [12.5267]
_cell_length_b [12.5267]
_cell_length_c [14.8088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La3SmSe6]
_chemical_formula_sum '[La18 Sm6 Se36]'
_cell_volume [2012.4226]
_cell_formula_units_Z [6]
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  18  0.0496  0.2706  0.7020  1
  Sm  Sm1  3  0.0000  0.0000  0.0000  1
  Sm  Sm2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0226  0.2116  0.8994  1
  Se  Se4  18  0.0320  0.1929  0.3774  1
]