data_LiLaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaSi2
_chemical_formula_sum   'Li1 La1 Si2'
_cell_volume   81.67
_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  Li1  1  0.0  0.0  0.87  1.0
  La  La0  1  0.7  0.7  0.32  1.0
  Si  Si2  1  0.7  0.7  0.22  1.0
  Si  Si3  1  0.0  0.0  0.25  1.0

data_LiLaSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaSi2
_chemical_formula_sum   'Li2 La2 Si4'
_cell_volume   163.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.87  1.0
  La  La1  2  0.2  0.5  0.32  1.0
  Si  Si2  2  0.0  0.0  0.25  1.0
  Si  Si3  2  0.2  0.5  0.22  1.0

Li La Si Si
Li La Si Si 0 2 - - + 0 2 - o + 0 2 o - + 0 1 - - + 0 0 + o o 0 0 o + o 0 3 o o + 1 2 o o o 1 3 + + o 2 3 + + o 