data_[Tb16Tl4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7826]
_cell_length_b [14.6895]
_cell_length_c [5.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2Bi]
_chemical_formula_sum '[Tb16 Tl4 Bi2]'
_cell_volume [682.4377]
_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  8  0.2057  0.1134  0.1224  1
  Tb  Tb1  4  0.0000  0.2239  0.5000  1
  Tb  Tb2  4  0.0956  0.5000  0.2947  1
  Tl  Tl3  4  0.0000  0.3060  0.0000  1
  Bi  Bi4  2  0.0000  0.0000  0.5000  1
]