data_[Tb10Tl12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3215]
_cell_length_b [13.3308]
_cell_length_c [8.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5Tl6]
_chemical_formula_sum '[Tb10 Tl12]'
_cell_volume [643.2120]
_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  0.0000  0.2873  0.5000  1
  Tb  Tb1  4  0.0000  0.3485  0.0000  1
  Tb  Tb2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  8  0.0467  0.1358  0.1973  1
  Tl  Tl4  4  0.0200  0.5000  0.7011  1
]