data_[Li39Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0245]
_cell_length_b [6.0245]
_cell_length_c [28.7400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li13Ga2]
_chemical_formula_sum '[Li39 Ga6]'
_cell_volume [903.3700]
_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  18  0.0095  0.5047  0.9508  1
  Li  Li1  18  0.0453  0.5227  0.7875  1
  Li  Li2  3  -0.0000  -0.0000  0.5000  1
  Ga  Ga3  6  0.0000  0.0000  0.2050  1
]