data_[Cs2Sm2Se6]
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 [P-1]
_cell_length_a [7.7522]
_cell_length_b [7.7606]
_cell_length_c [8.0137]
_cell_angle_alpha [69.5478]
_cell_angle_beta [73.6177]
_cell_angle_gamma [73.6466]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSmSe3]
_chemical_formula_sum '[Cs2 Sm2 Se6]'
_cell_volume [424.3060]
_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  2  0.3874  0.8182  0.8514  1
  Sm  Sm1  2  0.2332  0.5499  0.5152  1
  Se  Se2  2  0.0244  0.1430  0.3613  1
  Se  Se3  2  0.1332  0.4590  0.2419  1
  Se  Se4  2  0.4764  0.2779  0.7165  1
]