data_LiLaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.58
_cell_angle_alpha   108.36
_cell_angle_beta   108.36
_cell_angle_gamma   50.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaSi2
_chemical_formula_sum   'Li1 La1 Si2'
_cell_volume   83.21
_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  0.0  1.0
  La  La0  1  0.14  0.0  0.62  1.0
  Si  Si2  1  0.8  0.0  0.66  1.0
  Si  Si3  1  0.49  0.0  0.57  1.0

data_LiLaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.55
_cell_length_c   5.58
_cell_angle_alpha   108.36
_cell_angle_beta   90.0
_cell_angle_gamma   115.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaSi2
_chemical_formula_sum   'Li1 La1 Si2'
_cell_volume   83.21
_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  0.0  1.0
  La  La1  1  0.0  0.86  0.38  1.0
  Si  Si2  1  0.0  0.2  0.34  1.0
  Si  Si3  1  0.0  0.51  0.43  1.0

Li La Si Si