data_BaLi2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Si
_chemical_formula_sum   'Ba1 Li2 Si1'
_cell_volume   104.59
_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
  Ba  Ba0  1  0.53  0.0  0.39  1.0
  Li  Li1  1  0.0  0.0  0.31  1.0
  Li  Li2  1  0.53  0.0  0.75  1.0
  Si  Si3  1  0.0  0.0  0.62  1.0

data_BaLi2Si
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaLi2Si
_chemical_formula_sum   'Ba1 Li2 Si1'
_cell_volume   104.61
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.53  0.0  0.39  1.0
  Li  Li1  1  0.0  0.0  0.31  1.0
  Li  Li2  1  0.53  0.0  0.75  1.0
  Si  Si3  1  0.0  0.0  0.62  1.0

Ba Li Li Si