data_[Tb4Sm2Sc2Tl4]
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
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9815]
_cell_length_b [9.8338]
_cell_length_c [6.9605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tb2SmScTl2]
_chemical_formula_sum '[Tb4 Sm2 Sc2 Tl4]'
_cell_volume [340.9776]
_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  0.0000  0.1863  0.8455  1
  Tb  Tb1  2  0.5000  0.0502  0.5541  1
  Sm  Sm2  2  0.0000  0.4513  0.4560  1
  Sc  Sc3  2  0.5000  0.3042  0.1657  1
  Tl  Tl4  2  0.0000  0.1379  0.2925  1
  Tl  Tl5  2  0.5000  0.3789  0.7318  1
]