data_[Ba2Sm8Si6Se2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.0432]
_cell_length_b [10.0432]
_cell_length_c [6.9765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [BaSm4Si3SeO12]
_chemical_formula_sum '[Ba2 Sm8 Si6 Se2 O24]'
_cell_volume [609.4062]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.5030  1
  Sm  Sm1  6  0.0154  0.7578  0.2468  1
  Sm  Sm2  2  0.3333  0.6667  0.9971  1
  Si  Si3  6  0.0277  0.4045  0.2515  1
  Se  Se4  2  0.0000  0.0000  0.4992  1
  O  O5  6  0.0847  0.3487  0.0605  1
  O  O6  6  0.1015  0.3584  0.4351  1
  O  O7  6  0.1171  0.5948  0.2270  1
  O  O8  6  0.1569  0.6711  0.7792  1
]