data_Li3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   96.25
_cell_angle_beta   96.25
_cell_angle_gamma   141.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Si5
_chemical_formula_sum   'Li6 Si10'
_cell_volume   245.34
_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  0.0  0.0  0.7  1.0
  Li  Li1  1  0.0  0.0  0.23  1.0
  Li  Li2  1  0.01  0.98  0.0  1.0
  Li  Li3  1  0.98  0.01  0.47  1.0
  Li  Li4  1  0.99  0.01  0.0  1.0
  Li  Li5  1  0.99  0.98  0.47  1.0
  Si  Si6  1  0.99  0.0  0.23  1.0
  Si  Si7  1  0.0  0.99  0.23  1.0
  Si  Si8  1  0.52  0.33  0.0  1.0
  Si  Si9  1  0.47  0.66  0.47  1.0
  Si  Si10  1  0.52  0.65  0.47  1.0
  Si  Si11  1  0.47  0.34  0.0  1.0
  Si  Si12  1  0.34  0.5  0.0  1.0
  Si  Si13  1  0.65  0.48  0.47  1.0
  Si  Si14  1  0.65  0.52  0.0  1.0
  Si  Si15  1  0.34  0.47  0.47  1.0

data_Li3Si5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   83.75
_cell_angle_beta   70.74
_cell_angle_gamma   70.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Si5
_chemical_formula_sum   'Li6 Si10'
_cell_volume   245.34
_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  0.01  -0.0  0.99  1.0
  Li  Li1  1  0.3  0.7  0.0  1.0
  Li  Li2  1  0.52  0.47  0.01  1.0
  Li  Li3  1  0.54  0.47  0.98  1.0
  Li  Li4  1  0.77  0.23  0.0  1.0
  Li  Li5  1  0.98  -0.0  0.02  1.0
  Si  Si6  1  0.01  0.47  0.87  1.0
  Si  Si7  1  0.02  0.47  0.17  1.0
  Si  Si8  1  0.19  0.47  0.87  1.0
  Si  Si9  1  0.2  0.47  0.81  1.0
  Si  Si10  1  0.33  -0.0  0.19  1.0
  Si  Si11  1  0.34  -0.0  0.13  1.0
  Si  Si12  1  0.5  -0.0  0.83  1.0
  Si  Si13  1  0.52  -0.0  0.13  1.0
  Si  Si14  1  0.76  0.23  0.01  1.0
  Si  Si15  1  0.77  0.23  0.99  1.0

Li Li Li Li Li Li Si Si Si Si Si Si Si Si Si Si
Li Li Li Li Li Li Si Si Si Si Si Si Si Si Si Si 0 3 - o o 0 5 - - o 0 13 - - o 1 6 - o o 1 7 o - o 2 4 - + o 2 12 o + o 3 5 o - o 3 13 o - o 4 12 + o o 5 13 o o o 8 11 o o o 8 12 o o o 8 14 o o o 9 10 o o o 9 13 o o o 9 15 o o o 10 13 o o o 10 15 o o o 11 12 o o o 11 14 o o o 12 14 o o o 13 15 o o o 