data_[Tb2Sn6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7947]
_cell_length_b [4.0588]
_cell_length_c [12.4662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(SnSe2)3]
_chemical_formula_sum '[Tb2 Sn6 Se12]'
_cell_volume [551.6430]
_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  0.2911  0.2500  0.9509  1.0
  Sn  Sn1  2  0.1151  0.7500  0.1649  1.0
  Sn  Sn2  2  0.1562  0.2500  0.5460  1.0
  Sn  Sn3  2  0.4585  0.7500  0.7263  1.0
  Se  Se4  2  0.0820  0.7500  0.3828  1.0
  Se  Se5  2  0.1004  0.7500  0.9352  1.0
  Se  Se6  2  0.2484  0.7500  0.7637  1.0
  Se  Se7  2  0.2872  0.2500  0.1951  1.0
  Se  Se8  2  0.4044  0.2500  0.5658  1.0
  Se  Se9  2  0.4767  0.7500  0.0925  1.0
]