data_NaTiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.49
_cell_angle_alpha   124.28
_cell_angle_beta   124.28
_cell_angle_gamma   41.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiB2
_chemical_formula_sum   'Na1 Ti1 B2'
_cell_volume   63.67
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.09  0.0  0.59  1.0
  B  B0  1  0.42  0.0  0.54  1.0
  B  B1  1  0.76  0.0  0.64  1.0

data_NaTiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.32
_cell_length_c   5.4
_cell_angle_alpha   82.9
_cell_angle_beta   73.66
_cell_angle_gamma   69.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiB2
_chemical_formula_sum   'Na1 Ti1 B2'
_cell_volume   63.67
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.5  0.59  1.0
  B  B2  1  0.0  0.12  0.64  1.0
  B  B3  1  0.0  0.89  0.54  1.0

Na Ti B B