data_[Li12Tl2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6965]
_cell_length_b [6.4543]
_cell_length_c [9.2294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6TlGa]
_chemical_formula_sum '[Li12 Tl2 Ga2]'
_cell_volume [279.7702]
_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
[
  Li  Li0  4  0.0000  0.2438  0.1356  1.0
  Li  Li1  4  0.5000  0.2457  0.8657  1.0
  Li  Li2  2  0.0000  0.0000  0.3992  1.0
  Li  Li3  2  0.5000  0.0000  0.0984  1.0
  Tl  Tl4  2  0.5000  0.0000  0.6175  1.0
  Ga  Ga5  2  0.0000  0.0000  0.8826  1.0
]