data_[Cs4Sm4Hf2Se12]
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
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2282]
_cell_length_b [12.4132]
_cell_length_c [8.9330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sm2HfSe6]
_chemical_formula_sum '[Cs4 Sm4 Hf2 Se12]'
_cell_volume [769.1183]
_cell_formula_units_Z [2]
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  0.1715  0.0000  1
  Sm  Sm1  4  0.0000  0.3330  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2196  0.1546  0.6827  1
  Se  Se4  4  0.2459  0.0000  0.3188  1
]