data_LaNbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   152.73
_cell_angle_beta   149.72
_cell_angle_gamma   41.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbB2
_chemical_formula_sum   'La1 Nb1 B2'
_cell_volume   65.41
_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  0.55  0.0  0.95  1.0
  Nb  Nb3  1  0.0  0.0  0.03  1.0
  B  B0  1  0.55  0.0  0.37  1.0
  B  B1  1  0.0  0.0  0.11  1.0

data_LaNbB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.43
_cell_length_c   6.57
_cell_angle_alpha   105.14
_cell_angle_beta   103.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbB2
_chemical_formula_sum   'La1 Nb1 B2'
_cell_volume   65.41
_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  0.6  0.05  0.6  1.0
  Nb  Nb1  1  0.97  0.97  0.97  1.0
  B  B2  1  0.18  0.63  0.18  1.0
  B  B3  1  0.89  0.89  0.89  1.0

La Nb B B