data_[Li2Sm2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8614]
_cell_length_b [4.9051]
_cell_length_c [8.2452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSmTl]
_chemical_formula_sum '[Li2 Sm2 Tl2]'
_cell_volume [156.1313]
_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
[
  Li  Li0  2  0.2487  0.7500  0.4847  1.0
  Sm  Sm1  2  0.2611  0.2500  0.8531  1.0
  Tl  Tl2  2  0.2376  0.2500  0.2572  1.0
]