data_LaSnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   149.05
_cell_angle_beta   146.57
_cell_angle_gamma   46.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnB
_chemical_formula_sum   'La1 Sn1 B1'
_cell_volume   63.88
_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  La1  1  0.0  0.0  0.92  1.0
  Sn  Sn2  1  0.0  0.0  0.01  1.0
  B  B0  1  0.0  0.0  0.28  1.0

data_LaSnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.5
_cell_length_c   6.09
_cell_angle_alpha   106.71
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnB
_chemical_formula_sum   'La1 Sn1 B1'
_cell_volume   63.88
_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  0.08  0.08  0.08  1.0
  Sn  Sn1  1  0.99  0.99  0.99  1.0
  B  B2  1  0.72  0.72  0.72  1.0

La Sn B