data_LaAlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   131.06
_cell_angle_beta   103.71
_cell_angle_gamma   96.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlB2
_chemical_formula_sum   'La1 Al1 B2'
_cell_volume   70.77
_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  0.0  0.14  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.9  0.3  1.0
  B  B2  1  0.94  0.0  0.84  1.0

data_LaAlB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   76.29
_cell_angle_beta   65.53
_cell_angle_gamma   65.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlB2
_chemical_formula_sum   'La1 Al1 B2'
_cell_volume   70.77
_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  0.14  -0.0  0.86  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.3  -0.0  0.6  1.0
  B  B3  1  0.89  0.94  0.16  1.0

La Al B B