data_[Tb4In4Sn8Se20]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1112]
_cell_length_b [19.0788]
_cell_length_c [13.5423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbInSn2Se5]
_chemical_formula_sum '[Tb4 In4 Sn8 Se20]'
_cell_volume [1062.2112]
_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  0.1950  0.0199  1.0
  In  In1  4  0.0000  0.4545  0.4303  1.0
  Sn  Sn2  4  0.0000  0.1314  0.3239  1.0
  Sn  Sn3  4  0.0000  0.1510  0.6619  1.0
  Se  Se4  4  0.0000  0.0394  0.0509  1.0
  Se  Se5  4  0.0000  0.2970  0.6721  1.0
  Se  Se6  4  0.0000  0.3201  0.3720  1.0
  Se  Se7  4  0.0000  0.3449  0.0178  1.0
  Se  Se8  4  0.0000  0.4674  0.7753  1.0
]