data_[Tb4Cu4Bi8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1026]
_cell_length_b [19.4676]
_cell_length_c [12.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbCuBi2Se5]
_chemical_formula_sum '[Tb4 Cu4 Bi8 Se20]'
_cell_volume [1031.9711]
_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  0.1966  0.0134  1.0
  Cu  Cu1  4  0.0000  0.4241  0.4569  1.0
  Bi  Bi2  4  0.0000  0.0818  0.2582  1.0
  Bi  Bi3  4  0.0000  0.1563  0.6814  1.0
  Se  Se4  4  0.0000  0.0490  0.0519  1.0
  Se  Se5  4  0.0000  0.2977  0.6737  1.0
  Se  Se6  4  0.0000  0.3126  0.3644  1.0
  Se  Se7  4  0.0000  0.3461  0.0317  1.0
  Se  Se8  4  0.0000  0.4869  0.2924  1.0
]