data_BaNa2La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2La
_chemical_formula_sum   'Ba1 Na2 La1'
_cell_volume   169.8
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.18  0.18  0.55  1.0
  Na  Na3  1  0.18  0.18  0.42  1.0
  La  La1  1  0.0  0.0  0.48  1.0

data_BaNa2La
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNa2La
_chemical_formula_sum   'Ba2 Na4 La2'
_cell_volume   339.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Na  Na1  2  0.18  0.0  0.42  1.0
  Na  Na2  2  0.18  0.0  0.55  1.0
  La  La3  2  0.0  0.0  0.48  1.0

Ba Na Na La
Ba Na Na La 0 0 + o o 0 0 o + o 0 3 o o - 0 3 o o o 0 1 o o - 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
Na2BaLa crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to one Na(2), one Ba(1), and one La(1) atom. The Na(1)-Na(2) bond length is 1.24 Å. The Na(1)-Ba(1) bond length is 4.14 Å. The Na(1)-La(1) bond length is 1.25 Å. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to one Na(1), one Ba(1), and one La(1) atom. The Na(2)-Ba(1) bond length is 3.88 Å. The Na(2)-La(1) bond length is 1.25 Å. Ba(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), and four equivalent Ba(1) atoms. All Ba(1)-Ba(1) bond lengths are 4.35 Å. La(1) is bonded in a 2-coordinate geometry to one Na(1) and one Na(2) atom.