data_[La8Sm4Se16]
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 [Cmcm]
_cell_length_a [4.1088]
_cell_length_b [14.2995]
_cell_length_c [14.2373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2SmSe4]
_chemical_formula_sum '[La8 Sm4 Se16]'
_cell_volume [836.4850]
_cell_formula_units_Z [4]
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  8  0.0000  0.1302  0.0725  1
  Sm  Sm1  4  0.0000  0.3725  0.2500  1
  Se  Se2  8  0.0000  0.2210  0.6250  1
  Se  Se3  4  0.0000  0.0205  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]