data_[Ce8Sm4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5083]
_cell_length_b [8.4794]
_cell_length_c [7.8202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ce2SmSe5]
_chemical_formula_sum '[Ce8 Sm4 Se20]'
_cell_volume [829.4281]
_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
[
  Ce  Ce0  8  0.1807  0.0013  0.4870  1
  Sm  Sm1  4  0.0087  0.7500  0.9186  1
  Se  Se2  8  0.1046  0.0449  0.8374  1
  Se  Se3  4  0.0022  0.7500  0.5325  1
  Se  Se4  4  0.1852  0.7500  0.1760  1
  Se  Se5  4  0.2160  0.2500  0.2059  1
]