data_Na2LaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   7.83
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   49.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaB
_chemical_formula_sum   'Na2 La1 B1'
_cell_volume   110.26
_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  0.03  0.0  0.25  1.0
  Na  Na3  1  0.78  0.0  0.39  1.0
  La  La1  1  0.7  0.0  0.02  1.0
  B  B0  1  0.18  0.0  0.89  1.0

data_Na2LaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.34
_cell_length_c   7.83
_cell_angle_alpha   99.49
_cell_angle_beta   90.0
_cell_angle_gamma   114.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaB
_chemical_formula_sum   'Na2 La1 B1'
_cell_volume   110.26
_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  0.22  0.61  1.0
  Na  Na1  1  0.0  0.97  0.75  1.0
  La  La2  1  0.0  0.3  0.98  1.0
  B  B3  1  0.0  0.82  0.11  1.0

Na Na La B