data_[Tb16Tl4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7403]
_cell_length_b [5.1345]
_cell_length_c [6.7573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2Cu]
_chemical_formula_sum '[Tb16 Tl4 Cu2]'
_cell_volume [634.7798]
_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  0.0151  0.0000  0.7747  1.0
  Tb  Tb1  4  0.0907  0.5000  0.4609  1.0
  Tb  Tb2  4  0.1488  0.5000  0.9789  1.0
  Tb  Tb3  4  0.2059  0.0000  0.3060  1.0
  Tl  Tl4  4  0.1856  0.0000  0.7531  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]