data_[Tb4Mg12Tl8]
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 [C2/m]
_cell_length_a [17.0203]
_cell_length_b [4.8305]
_cell_length_c [7.8389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbMg3Tl2]
_chemical_formula_sum '[Tb4 Mg12 Tl8]'
_cell_volume [599.7305]
_cell_formula_units_Z [4]
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  0.1155  0.0000  0.1766  1.0
  Mg  Mg1  4  0.0710  0.0000  0.7015  1.0
  Mg  Mg2  4  0.1296  0.5000  0.5037  1.0
  Mg  Mg3  4  0.1986  0.5000  0.9179  1.0
  Tl  Tl4  4  0.0179  0.5000  0.8263  1.0
  Tl  Tl5  4  0.2402  0.0000  0.6732  1.0
]