data_[Tb16Tl2Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9395]
_cell_length_b [4.9199]
_cell_length_c [7.9353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8TlGa2]
_chemical_formula_sum '[Tb16 Tl2 Ga4]'
_cell_volume [615.4764]
_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  4  0.0510  0.0000  0.7338  1.0
  Tb  Tb1  4  0.1010  0.5000  0.4590  1.0
  Tb  Tb2  4  0.1694  0.0000  0.2495  1.0
  Tb  Tb3  4  0.1783  0.5000  0.9514  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga5  4  0.2140  0.0000  0.6595  1.0
]