data_[La2Sm4Sc2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [4.7775]
_cell_length_b [9.3209]
_cell_length_c [8.2944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LaSm2ScTl2]
_chemical_formula_sum '[La2 Sm4 Sc2 Tl4]'
_cell_volume [369.3506]
_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
[
  La  La0  2  0.0000  0.4257  0.9851  1.0
  Sm  Sm1  2  0.0000  0.1748  0.3635  1.0
  Sm  Sm2  2  0.5000  0.0824  0.0325  1.0
  Sc  Sc3  2  0.5000  0.3093  0.6476  1.0
  Tl  Tl4  2  0.0000  0.1389  0.7421  1.0
  Tl  Tl5  2  0.5000  0.3844  0.2747  1.0
]