data_LiAlB14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   132.01
_cell_angle_beta   88.2
_cell_angle_gamma   111.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlB14
_chemical_formula_sum   'Li2 Al2 B28'
_cell_volume   244.23
_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  Li30  1  0.92  0.58  0.79  1.0
  Li  Li31  1  0.0  0.58  0.26  1.0
  Al  Al0  1  0.54  0.58  0.03  1.0
  Al  Al1  1  0.46  0.58  0.03  1.0
  B  B2  1  0.07  0.8  0.33  1.0
  B  B3  1  0.93  0.8  0.33  1.0
  B  B4  1  0.45  0.33  0.35  1.0
  B  B5  1  0.47  0.18  0.41  1.0
  B  B6  1  0.92  0.28  0.8  1.0
  B  B7  1  0.0  0.28  0.38  1.0
  B  B8  1  0.92  0.61  0.97  1.0
  B  B9  1  0.99  0.8  0.72  1.0
  B  B10  1  0.93  0.64  0.78  1.0
  B  B11  1  0.92  0.56  0.8  1.0
  B  B12  1  0.92  0.28  0.67  1.0
  B  B13  1  0.45  0.82  0.35  1.0
  B  B14  1  0.39  0.82  0.35  1.0
  B  B15  1  0.92  0.54  0.97  1.0
  B  B16  1  0.0  0.61  0.09  1.0
  B  B17  1  0.53  0.33  0.7  1.0
  B  B18  1  0.47  0.33  0.7  1.0
  B  B19  1  0.0  0.88  0.38  1.0
  B  B20  1  0.0  0.6  0.26  1.0
  B  B21  1  0.99  0.51  0.28  1.0
  B  B22  1  0.93  0.36  0.33  1.0
  B  B23  1  0.0  0.54  0.09  1.0
  B  B24  1  0.92  0.88  0.67  1.0
  B  B25  1  0.0  0.87  0.26  1.0
  B  B26  1  0.45  0.98  0.65  1.0
  B  B27  1  0.47  0.82  0.7  1.0
  B  B28  1  0.99  0.36  0.72  1.0
  B  B29  1  0.85  0.36  0.72  1.0

data_LiAlB14
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.84
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   68.77
_cell_angle_beta   66.0
_cell_angle_gamma   66.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlB14
_chemical_formula_sum   'Li2 Al2 B28'
_cell_volume   244.23
_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  1  0.21  0.92  0.21  1.0
  Li  Li1  1  0.74  0.0  0.68  1.0
  Al  Al2  1  0.97  0.46  0.45  1.0
  Al  Al3  1  0.97  0.54  0.45  1.0
  B  B4  1  0.03  0.92  0.43  1.0
  B  B5  1  0.03  0.92  0.35  1.0
  B  B6  1  0.2  0.92  0.24  1.0
  B  B7  1  0.2  0.92  0.52  1.0
  B  B8  1  0.22  0.93  0.13  1.0
  B  B9  1  0.28  0.99  0.92  1.0
  B  B10  1  0.28  0.85  0.37  1.0
  B  B11  1  0.28  0.99  0.37  1.0
  B  B12  1  0.3  0.47  0.88  1.0
  B  B13  1  0.3  0.47  0.37  1.0
  B  B14  1  0.3  0.53  0.37  1.0
  B  B15  1  0.33  0.92  0.79  1.0
  B  B16  1  0.33  0.92  0.4  1.0
  B  B17  1  0.35  0.45  0.67  1.0
  B  B18  1  0.59  0.47  0.23  1.0
  B  B19  1  0.62  0.0  0.5  1.0
  B  B20  1  0.62  -0.0  0.11  1.0
  B  B21  1  0.65  0.39  0.53  1.0
  B  B22  1  0.65  0.45  0.53  1.0
  B  B23  1  0.65  0.45  0.02  1.0
  B  B24  1  0.67  0.07  0.53  1.0
  B  B25  1  0.67  0.93  0.53  1.0
  B  B26  1  0.67  0.93  0.98  1.0
  B  B27  1  0.72  0.99  0.77  1.0
  B  B28  1  0.74  0.0  0.66  1.0
  B  B29  1  0.74  0.0  0.38  1.0
  B  B30  1  0.91  0.0  0.54  1.0
  B  B31  1  0.91  0.0  0.47  1.0

Li Li Al Al B B B B B B B B B B B B B B B B B B B B B B B B B B B B