data_[Na12Li4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.9561]
_cell_length_b [6.7914]
_cell_length_c [9.9384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Na3LiTl]
_chemical_formula_sum '[Na12 Li4 Tl4]'
_cell_volume [577.8088]
_cell_formula_units_Z [4]
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  4  0.0977  0.2769  0.4109  1.0
  Na  Na1  4  0.2863  0.4918  0.7027  1.0
  Na  Na2  4  0.4888  0.2250  0.0019  1.0
  Li  Li3  4  0.1055  0.1705  0.8936  1.0
  Tl  Tl4  4  0.2732  0.0037  0.1888  1.0
]