data_[Tb4Al3Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1657]
_cell_length_b [4.5241]
_cell_length_c [11.2948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4Al3Tl]
_chemical_formula_sum '[Tb4 Al3 Tl1]'
_cell_volume [212.8642]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8583  1.0
  Tb  Tb1  1  0.0000  0.5000  0.3620  1.0
  Tb  Tb2  1  0.5000  0.0000  0.1459  1.0
  Tb  Tb3  1  0.5000  0.5000  0.6327  1.0
  Al  Al4  1  0.0000  0.0000  0.5742  1.0
  Al  Al5  1  0.0000  0.5000  0.0830  1.0
  Al  Al6  1  0.5000  0.0000  0.4269  1.0
  Tl  Tl7  1  0.5000  0.5000  0.9170  1.0
]