data_LiB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB2Cl
_chemical_formula_sum   'Li1 B2 Cl1'
_cell_volume   52.59
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.38  0.0  0.85  1.0
  B  B1  1  0.38  0.0  0.15  1.0
  Cl  Cl2  1  0.0  0.0  0.5  1.0

data_LiB2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.76
_cell_length_b   7.0
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   116.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiB2Cl
_chemical_formula_sum   'Li1 B2 Cl1'
_cell_volume   52.59
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.15  0.62  1.0
  Cl  Cl2  1  0.0  0.5  0.0  1.0

Li B B Cl