data_[Tb16Bi8Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.3067]
_cell_length_b [9.3067]
_cell_length_c [9.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Tb4Bi2Te]
_chemical_formula_sum '[Tb16 Bi8 Te4]'
_cell_volume [815.5423]
_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  16  0.0732  0.6814  0.9504  1
  Bi  Bi1  8  0.1214  0.7500  0.6250  1
  Te  Te2  4  0.0000  0.0000  0.0000  1
]