data_LiGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   17.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2
_chemical_formula_sum   'Li8 Ga16'
_cell_volume   435.13
_cell_formula_units_Z   8
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  Li16  1  0.0  0.0  0.19  1.0
  Li  Li17  1  0.0  0.0  0.99  1.0
  Li  Li18  1  0.0  0.0  0.6  1.0
  Li  Li19  1  0.0  0.0  0.58  1.0
  Li  Li20  1  0.0  0.12  0.87  1.0
  Li  Li21  1  0.7  0.56  0.31  1.0
  Li  Li22  1  0.7  0.56  0.46  1.0
  Li  Li23  1  0.0  0.12  0.72  1.0
  Ga  Ga0  1  0.0  0.12  0.83  1.0
  Ga  Ga1  1  0.7  0.56  0.35  1.0
  Ga  Ga2  1  0.7  0.56  0.24  1.0
  Ga  Ga3  1  0.0  0.12  0.94  1.0
  Ga  Ga4  1  0.35  0.34  0.59  1.0
  Ga  Ga5  1  0.7  0.0  0.59  1.0
  Ga  Ga6  1  0.65  0.34  0.59  1.0
  Ga  Ga7  1  0.35  0.34  0.0  1.0
  Ga  Ga8  1  0.7  0.0  0.0  1.0
  Ga  Ga9  1  0.65  0.34  0.0  1.0
  Ga  Ga10  1  0.58  0.94  0.89  1.0
  Ga  Ga11  1  0.0  0.48  0.89  1.0
  Ga  Ga12  1  0.42  0.94  0.89  1.0
  Ga  Ga13  1  0.12  0.74  0.3  1.0
  Ga  Ga14  1  0.7  0.2  0.3  1.0
  Ga  Ga15  1  0.29  0.74  0.3  1.0

data_LiGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   17.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGa2
_chemical_formula_sum   'Li8 Ga16'
_cell_volume   435.13
_cell_formula_units_Z   8
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  1  0.0  0.0  0.19  1.0
  Li  Li1  1  0.0  0.0  0.58  1.0
  Li  Li2  1  0.0  0.0  0.6  1.0
  Li  Li3  1  0.0  0.0  0.99  1.0
  Li  Li4  1  0.0  0.12  0.72  1.0
  Li  Li5  1  0.0  0.12  0.87  1.0
  Li  Li6  1  0.7  0.56  0.31  1.0
  Li  Li7  1  0.7  0.56  0.46  1.0
  Ga  Ga8  1  0.0  0.12  0.83  1.0
  Ga  Ga9  1  0.0  0.12  0.94  1.0
  Ga  Ga10  1  0.0  0.48  0.89  1.0
  Ga  Ga11  1  0.12  0.74  0.3  1.0
  Ga  Ga12  1  0.29  0.74  0.3  1.0
  Ga  Ga13  1  0.35  0.34  -0.0  1.0
  Ga  Ga14  1  0.35  0.34  0.59  1.0
  Ga  Ga15  1  0.42  0.94  0.89  1.0
  Ga  Ga16  1  0.58  0.94  0.89  1.0
  Ga  Ga17  1  0.65  0.34  -0.0  1.0
  Ga  Ga18  1  0.65  0.34  0.59  1.0
  Ga  Ga19  1  0.7  0.0  0.0  1.0
  Ga  Ga20  1  0.7  0.0  0.59  1.0
  Ga  Ga21  1  0.7  0.2  0.3  1.0
  Ga  Ga22  1  0.7  0.56  0.24  1.0
  Ga  Ga23  1  0.7  0.56  0.35  1.0

Li Li Li Li Li Li Li Li Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga
Li Li Li Li Li Li Li Li Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga 0 10 - - o 0 21 o - o 1 11 o o o 1 15 o o + 1 16 - o + 2 3 o o o 2 7 o o o 2 12 o o o 2 13 - o o 3 12 o o o 3 13 - o o 4 8 o o o 4 11 o o o 4 19 o o o 5 9 o o o 5 10 o o o 5 22 o o o 6 9 o o o 7 8 o o o 8 19 o o o 9 22 o o o 10 22 o o o 11 15 o o + 11 16 - o + 11 19 o o o 12 14 o o o 15 17 o o o 18 20 o o o 19 20 o o o 21 23 o o o 22 23 o - o 