data_LiBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBCl2
_chemical_formula_sum   'Li1 B1 Cl2'
_cell_volume   93.37
_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  0.0  0.0  0.5  1.0
  Cl  Cl1  1  0.78  0.0  0.32  1.0
  Cl  Cl2  1  0.78  0.0  0.69  1.0

data_LiBCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.57
_cell_length_b   7.01
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   115.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiBCl2
_chemical_formula_sum   'Li1 B1 Cl2'
_cell_volume   93.37
_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  1  0.0  0.5  0.0  1.0
  Cl  Cl2  2  0.0  0.32  0.22  1.0

Li B Cl Cl