data_[Cs2Sm6Ag4Se12]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5240]
_cell_length_b [4.3107]
_cell_length_c [9.0544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSm3(AgSe3)2]
_chemical_formula_sum '[Cs2 Sm6 Ag4 Se12]'
_cell_volume [751.3720]
_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  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  4  0.1704  0.0000  0.8336  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.2251  0.5000  0.3813  1.0
  Se  Se4  4  0.0213  0.0000  0.7233  1.0
  Se  Se5  4  0.1612  0.5000  0.5926  1.0
  Se  Se6  4  0.1791  0.5000  0.0631  1.0
]