data_[Tb12Sm10Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9916]
_cell_length_b [10.0823]
_cell_length_c [15.1436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb6Sm5Tl]
_chemical_formula_sum '[Tb12 Sm10 Tl2]'
_cell_volume [762.1248]
_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  8  0.0000  0.2457  0.1652  1
  Tb  Tb1  4  0.0000  0.2556  0.5000  1
  Sm  Sm2  4  0.0000  0.0000  0.3370  1
  Sm  Sm3  4  0.0000  0.5000  0.3316  1
  Sm  Sm4  2  0.0000  0.5000  0.0000  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
]