data_LaB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   143.84
_cell_angle_beta   118.0
_cell_angle_gamma   73.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaB2Cl
_chemical_formula_sum   'La1 B2 Cl1'
_cell_volume   70.52
_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
  La  La3  1  0.0  0.66  0.26  1.0
  B  B0  1  0.0  0.0  0.96  1.0
  B  B1  1  0.6  0.0  0.11  1.0
  Cl  Cl2  1  0.0  0.0  0.92  1.0

data_LaB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   62.0
_cell_angle_beta   71.92
_cell_angle_gamma   71.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaB2Cl
_chemical_formula_sum   'La1 B2 Cl1'
_cell_volume   70.52
_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
  La  La0  1  0.66  -0.0  0.6  1.0
  B  B1  1  0.0  -0.0  0.96  1.0
  B  B2  1  0.0  0.4  0.11  1.0
  Cl  Cl3  1  0.0  -0.0  0.92  1.0

La B B Cl