data_[La4Sm8Se16]
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 [4.1333]
_cell_length_b [13.7829]
_cell_length_c [14.0792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La(SmSe2)2]
_chemical_formula_sum '[La4 Sm8 Se16]'
_cell_volume [802.0814]
_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  4  0.0000  0.3776  0.2500  1
  Sm  Sm1  8  0.0000  0.1305  0.0669  1
  Se  Se2  8  0.0000  0.2258  0.6221  1
  Se  Se3  4  0.0000  0.0363  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]