data_[Li6Tl1Ga2]
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 [P6/mmm]
_cell_length_a [7.9267]
_cell_length_b [7.9267]
_cell_length_c [2.7869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Li6TlGa2]
_chemical_formula_sum '[Li6 Tl1 Ga2]'
_cell_volume [151.6459]
_cell_formula_units_Z [1]
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  0.3396  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  2  0.3333  0.6667  0.5000  1.0
]