data_[Tb2Pr4Sc2Se12]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9032]
_cell_length_b [7.6462]
_cell_length_c [12.2919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TbPr2ScSe6]
_chemical_formula_sum '[Tb2 Pr4 Sc2 Se12]'
_cell_volume [543.3543]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.5000  1.0
  Pr  Pr1  4  0.2962  0.6047  0.7530  1.0
  Sc  Sc2  2  0.5000  0.0000  0.0000  1.0
  Se  Se3  4  0.1156  0.5438  0.2584  1.0
  Se  Se4  4  0.2487  0.1781  0.0689  1.0
  Se  Se5  4  0.4034  0.6892  0.0689  1.0
]