data_Li7B18O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   4.12
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   119.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7B18O
_chemical_formula_sum   'Li7 B18 O1'
_cell_volume   238.8
_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  1  0.9  0.0  0.76  1.0
  Li  Li1  1  0.2  0.0  0.38  1.0
  Li  Li2  1  0.07  0.06  0.07  1.0
  Li  Li3  1  1.0  0.0  0.41  1.0
  Li  Li4  1  0.94  0.0  0.8  1.0
  Li  Li5  1  0.41  0.0  0.31  1.0
  Li  Li6  1  0.53  0.0  0.87  1.0
  B  B7  1  0.04  0.3  0.54  1.0
  B  B8  1  0.25  0.06  0.91  1.0
  B  B9  1  0.93  0.06  0.9  1.0
  B  B10  1  0.34  0.06  0.32  1.0
  B  B11  1  0.97  0.29  0.54  1.0
  B  B12  1  0.2  0.06  0.87  1.0
  B  B13  1  0.85  0.06  0.32  1.0
  B  B14  1  0.03  0.06  0.87  1.0
  B  B15  1  0.11  0.83  0.01  1.0
  B  B16  1  0.11  0.29  0.01  1.0
  B  B17  1  0.1  0.06  0.23  1.0
  B  B18  1  0.26  0.06  0.78  1.0
  B  B19  1  0.92  0.06  0.22  1.0
  B  B20  1  0.97  0.84  0.54  1.0
  B  B21  1  0.75  0.06  0.76  1.0
  B  B22  1  0.17  0.06  0.2  1.0
  B  B23  1  0.84  0.06  0.18  1.0
  B  B24  1  0.04  0.82  0.54  1.0
  O  O25  1  0.1  0.0  0.04  1.0

data_Li7B18O
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   8.17
_cell_length_c   8.18
_cell_angle_alpha   119.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7B18O
_chemical_formula_sum   'Li7 B18 O1'
_cell_volume   238.8
_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  1  0.0  0.0  0.59  1.0
  Li  Li1  1  0.0  0.06  0.2  1.0
  Li  Li2  1  0.0  0.1  0.24  1.0
  Li  Li3  1  0.0  0.47  0.13  1.0
  Li  Li4  1  0.0  0.59  0.69  1.0
  Li  Li5  1  0.0  0.8  0.62  1.0
  Li  Li6  1  0.94  0.93  0.93  1.0
  B  B7  1  0.16  0.03  0.46  1.0
  B  B8  1  0.17  0.89  0.99  1.0
  B  B9  1  0.18  0.96  0.46  1.0
  B  B10  1  0.7  0.96  0.46  1.0
  B  B11  1  0.71  0.89  0.99  1.0
  B  B12  1  0.71  0.03  0.46  1.0
  B  B13  1  0.94  0.07  0.1  1.0
  B  B14  1  0.94  0.08  0.78  1.0
  B  B15  1  0.94  0.15  0.68  1.0
  B  B16  1  0.94  0.16  0.82  1.0
  B  B17  1  0.94  0.25  0.24  1.0
  B  B18  1  0.94  0.66  0.68  1.0
  B  B19  1  0.94  0.74  0.22  1.0
  B  B20  1  0.94  0.75  0.09  1.0
  B  B21  1  0.94  0.8  0.13  1.0
  B  B22  1  0.94  0.83  0.8  1.0
  B  B23  1  0.94  0.9  0.77  1.0
  B  B24  1  0.94  0.97  0.13  1.0
  O  O25  1  0.0  0.9  0.96  1.0

Li Li Li Li Li Li Li B B B B B B B B B B B B B B B B B B O