data_[Na4Sm2Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [5.3843]
_cell_length_b [5.3843]
_cell_length_c [13.2827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na2SmTl3]
_chemical_formula_sum '[Na4 Sm2 Tl6]'
_cell_volume [333.4791]
_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
[
  Na  Na0  2  0.3333  0.6667  0.1645  1
  Na  Na1  1  0.0000  0.0000  0.0000  1
  Na  Na2  1  0.0000  0.0000  0.5000  1
  Sm  Sm3  2  0.3333  0.6667  0.6612  1
  Tl  Tl4  2  0.0000  0.0000  0.2491  1
  Tl  Tl5  2  0.3333  0.6667  0.4145  1
  Tl  Tl6  2  0.3333  0.6667  0.9140  1
]