data_[Tb6Pr9Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2102]
_cell_length_b [4.2102]
_cell_length_c [62.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2(PrSe2)3]
_chemical_formula_sum '[Tb6 Pr9 Se18]'
_cell_volume [959.2415]
_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
[
  Tb  Tb0  6  0.0000  0.0000  0.4484  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2774  1.0
  Pr  Pr2  3  0.0000  0.0000  0.0000  1.0
  Se  Se3  6  0.0000  0.0000  0.0857  1.0
  Se  Se4  6  0.0000  0.0000  0.1965  1.0
  Se  Se5  6  0.0000  0.0000  0.3616  1.0
]