data_[Li4Sm3Tl2]
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 [P-3m1]
_cell_length_a [5.0250]
_cell_length_b [5.0250]
_cell_length_c [9.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li4Sm3Tl2]
_chemical_formula_sum '[Li4 Sm3 Tl2]'
_cell_volume [204.1350]
_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
[
  Li  Li0  2  0.0000  0.0000  0.3327  1.0
  Li  Li1  2  0.3333  0.6667  0.0878  1.0
  Sm  Sm2  2  0.3333  0.6667  0.4015  1.0
  Sm  Sm3  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.3333  0.6667  0.7828  1.0
]