data_[Ba3Li3Mg3Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0477]
_cell_length_b [5.0477]
_cell_length_c [17.8248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaLiMgTl]
_chemical_formula_sum '[Ba3 Li3 Mg3 Tl3]'
_cell_volume [393.3160]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.7371  1.0
  Li  Li1  3  0.0000  0.0000  0.5478  1.0
  Mg  Mg2  3  0.0000  0.0000  0.2423  1.0
  Tl  Tl3  3  0.0000  0.0000  0.9412  1.0
]