data_LaSiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiB2
_chemical_formula_sum   'La1 Si1 B2'
_cell_volume   72.95
_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  La2  1  0.56  0.0  0.75  1.0
  Si  Si3  1  0.0  0.0  0.07  1.0
  B  B0  1  0.56  0.0  0.53  1.0
  B  B1  1  0.0  0.0  0.99  1.0

data_LaSiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.71
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiB2
_chemical_formula_sum   'La1 Si1 B2'
_cell_volume   72.95
_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  0.0  0.56  0.75  1.0
  Si  Si1  1  0.0  0.0  0.07  1.0
  B  B2  1  0.0  0.0  0.99  1.0
  B  B3  1  0.0  0.56  0.53  1.0

La Si B B