data_[Tb6Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.8115]
_cell_length_b [4.1871]
_cell_length_c [11.9408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3BiSe6]
_chemical_formula_sum '[Tb6 Bi2 Se12]'
_cell_volume [557.1698]
_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  0.1594  0.2500  0.0791  1
  Tb  Tb1  2  0.3309  0.7500  0.5056  1
  Tb  Tb2  2  0.4296  0.2500  0.8344  1
  Bi  Bi3  2  0.0186  0.2500  0.6846  1
  Se  Se4  2  0.0800  0.7500  0.9063  1
  Se  Se5  2  0.1166  0.2500  0.4721  1
  Se  Se6  2  0.1992  0.7500  0.2543  1
  Se  Se7  2  0.2645  0.7500  0.7210  1
  Se  Se8  2  0.3955  0.2500  0.0637  1
  Se  Se9  2  0.4856  0.2500  0.6181  1
]