data_[Cs4Sm16Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2457]
_cell_length_b [14.1334]
_cell_length_c [22.5539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs(Sm2Se3)2]
_chemical_formula_sum '[Cs4 Sm16 Se24]'
_cell_volume [1353.3801]
_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
[
  Cs  Cs0  4  0.0000  0.3452  0.7500  1
  Sm  Sm1  8  0.0000  0.1314  0.0397  1
  Sm  Sm2  8  0.0000  0.4006  0.1311  1
  Se  Se3  8  0.0000  0.0341  0.1486  1
  Se  Se4  8  0.0000  0.2302  0.5796  1
  Se  Se5  4  0.0000  0.3530  0.2500  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]