data_[Tb2Bi6Se12]
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 [12.2013]
_cell_length_b [4.1357]
_cell_length_c [12.2875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(BiSe2)3]
_chemical_formula_sum '[Tb2 Bi6 Se12]'
_cell_volume [590.8453]
_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  0.3115  0.2500  0.9622  1.0
  Bi  Bi1  2  0.0957  0.7500  0.1508  1.0
  Bi  Bi2  2  0.1631  0.2500  0.5680  1.0
  Bi  Bi3  2  0.4733  0.7500  0.7014  1.0
  Se  Se4  2  0.0840  0.7500  0.4061  1.0
  Se  Se5  2  0.1143  0.7500  0.9298  1.0
  Se  Se6  2  0.2574  0.2500  0.1907  1.0
  Se  Se7  2  0.2737  0.7500  0.7686  1.0
  Se  Se8  2  0.3837  0.2500  0.5350  1.0
  Se  Se9  2  0.4653  0.7500  0.0997  1.0
]