data_[Tb3Sm7Tl2]
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 [P2/m]
_cell_length_a [5.6948]
_cell_length_b [3.6532]
_cell_length_c [18.6770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb3Sm7Tl2]
_chemical_formula_sum '[Tb3 Sm7 Tl2]'
_cell_volume [387.7000]
_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  0.2210  0.0000  0.3633  1
  Tb  Tb1  1  0.5000  0.5000  0.0000  1
  Sm  Sm2  2  0.1680  0.5000  0.1723  1
  Sm  Sm3  2  0.2581  0.5000  0.5379  1
  Sm  Sm4  2  0.3341  0.0000  0.8503  1
  Sm  Sm5  1  0.0000  0.0000  0.0000  1
  Tl  Tl6  2  0.2974  0.5000  0.7051  1
]