data_[Li6La3Mg3Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9620]
_cell_length_b [4.9620]
_cell_length_c [28.5397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2LaMgTl4]
_chemical_formula_sum '[Li6 La3 Mg3 Tl12]'
_cell_volume [608.5575]
_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
[
  Li  Li0  6  0.0000  0.0000  0.2371  1.0
  La  La1  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Tl  Tl3  6  0.0000  0.0000  0.1233  1.0
  Tl  Tl4  6  0.0000  0.0000  0.3920  1.0
]