data_[Cs6Tb4Sm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4661]
_cell_length_b [12.9330]
_cell_length_c [8.7516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tb2SmSe6]
_chemical_formula_sum '[Cs6 Tb4 Sm2 Se12]'
_cell_volume [810.1265]
_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  0.1658  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  4  0.0000  0.3333  0.0000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2310  0.1687  0.1871  1.0
  Se  Se5  4  0.2250  0.5000  0.1867  1.0
]