data_[Tb5Mg4Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8116]
_cell_length_b [3.8116]
_cell_length_c [18.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb5Mg4Tl]
_chemical_formula_sum '[Tb5 Mg4 Tl1]'
_cell_volume [275.2435]
_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  2  0.5000  0.5000  0.1027  1.0
  Tb  Tb1  2  0.5000  0.5000  0.3001  1.0
  Tb  Tb2  1  0.5000  0.5000  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.2027  1.0
  Mg  Mg4  2  0.0000  0.0000  0.3996  1.0
  Tl  Tl5  1  0.0000  0.0000  0.0000  1.0
]