data_[Na3Tb3Sm12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [R3m]
_cell_length_a [8.6186]
_cell_length_b [8.6186]
_cell_length_c [20.9529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaTb(SmSe2)4]
_chemical_formula_sum '[Na3 Tb3 Sm12 Se24]'
_cell_volume [1347.8734]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.3759  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0049  1.0
  Sm  Sm2  9  0.1729  0.3457  0.8318  1.0
  Sm  Sm3  3  0.0000  0.0000  0.6243  1.0
  Se  Se4  9  0.0277  0.5139  0.7519  1.0
  Se  Se5  9  0.1789  0.3579  0.5818  1.0
  Se  Se6  3  0.0000  0.0000  0.2408  1.0
  Se  Se7  3  0.0000  0.0000  0.7579  1.0
]