data_[Tb4In4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1688]
_cell_length_b [18.8879]
_cell_length_c [13.4190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbInPb2Se5]
_chemical_formula_sum '[Tb4 In4 Pb8 Se20]'
_cell_volume [1056.5989]
_cell_formula_units_Z [4]
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  4  0.0000  0.2015  0.0210  1.0
  In  In1  4  0.0000  0.4513  0.4342  1.0
  Pb  Pb2  4  0.0000  0.1274  0.3202  1.0
  Pb  Pb3  4  0.0000  0.1392  0.6675  1.0
  Se  Se4  4  0.0000  0.0441  0.0538  1.0
  Se  Se5  4  0.0000  0.2938  0.6705  1.0
  Se  Se6  4  0.0000  0.3157  0.3721  1.0
  Se  Se7  4  0.0000  0.3523  0.0138  1.0
  Se  Se8  4  0.0000  0.4791  0.7708  1.0
]