data_LiSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2
_chemical_formula_sum   'Li2 Si4'
_cell_volume   85.91
_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  0.85  0.04  0.95  1.0
  Li  Li1  1  0.85  0.96  0.84  1.0
  Si  Si2  1  0.85  0.8  0.95  1.0
  Si  Si3  1  0.85  0.2  0.84  1.0
  Si  Si4  1  0.85  0.68  0.95  1.0
  Si  Si5  1  0.85  0.32  0.84  1.0

data_LiSi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.71
_cell_length_b   3.78
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiSi2
_chemical_formula_sum   'Li2 Si4'
_cell_volume   85.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.04  0.95  0.04  1.0
  Si  Si1  2  0.2  0.05  0.2  1.0
  Si  Si2  2  0.32  0.05  0.32  1.0

Li Li Si Si Si Si