data_[Tb6Er12Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6568]
_cell_length_b [3.4784]
_cell_length_c [14.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3Er6Tl]
_chemical_formula_sum '[Tb6 Er12 Tl2]'
_cell_volume [611.2830]
_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  2  0.0745  0.2500  0.1007  1
  Tb  Tb1  2  0.3701  0.7500  0.4961  1
  Tb  Tb2  2  0.4226  0.2500  0.9030  1
  Er  Er3  2  0.1142  0.2500  0.4665  1
  Er  Er4  2  0.1920  0.7500  0.9236  1
  Er  Er5  2  0.2257  0.7500  0.2848  1
  Er  Er6  2  0.2478  0.7500  0.6911  1
  Er  Er7  2  0.3419  0.2500  0.1177  1
  Er  Er8  2  0.4895  0.2500  0.6904  1
  Tl  Tl9  2  0.0344  0.2500  0.7220  1
]