data_[Li13Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8553]
_cell_length_b [7.3108]
_cell_length_c [7.6678]
_cell_angle_alpha [68.9598]
_cell_angle_beta [88.7804]
_cell_angle_gamma [82.4208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li13Si2]
_chemical_formula_sum '[Li13 Si2]'
_cell_volume [251.7120]
_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  2  0.1428  0.5169  0.7179  1
  Li  Li1  2  0.2292  0.1787  0.1911  1
  Li  Li2  2  0.2326  0.9287  0.5991  1
  Li  Li3  2  0.2960  0.6311  0.0571  1
  Li  Li4  2  0.3504  0.3738  0.4571  1
  Li  Li5  2  0.4095  0.1372  0.8046  1
  Li  Li6  1  0.0000  0.0000  0.0000  1
  Si  Si7  2  0.1224  0.7712  0.3448  1
]