data_[Tb12Nd4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.9295]
_cell_length_b [10.4282]
_cell_length_c [5.5329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Tb6Nd2Tl]
_chemical_formula_sum '[Tb12 Nd4 Tl2]'
_cell_volume [572.9108]
_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  0.0188  0.1802  0.0000  1.0
  Tb  Tb1  4  0.1407  0.6038  0.5000  1.0
  Tb  Tb2  4  0.1796  0.9284  0.5000  1.0
  Nd  Nd3  4  0.1923  0.2549  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
]