data_NaLaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   138.01
_cell_angle_beta   137.24
_cell_angle_gamma   61.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaBi2
_chemical_formula_sum   'Na1 La1 Bi2'
_cell_volume   124.02
_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  Na3  1  0.0  0.0  0.76  1.0
  La  La2  1  0.33  0.0  0.59  1.0
  Bi  Bi0  1  0.0  0.37  0.59  1.0
  Bi  Bi1  1  0.0  0.0  0.45  1.0

data_NaLaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.75
_cell_length_c   6.51
_cell_angle_alpha   111.38
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaBi2
_chemical_formula_sum   'Na1 La1 Bi2'
_cell_volume   124.02
_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  0.76  0.76  1.0
  La  La1  1  0.0  0.59  0.25  1.0
  Bi  Bi2  1  0.0  0.45  0.45  1.0
  Bi  Bi3  1  0.63  0.22  0.22  1.0

Na La Bi Bi
NaLaBi2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Bi(2) atom. The Na(1)-Bi(1) bond length is 3.37 Å. The Na(1)-Bi(2) bond length is 1.98 Å. La(1) is bonded in a distorted single-bond geometry to one Bi(2) and three equivalent Bi(1) atoms. The La(1)-Bi(2) bond length is 1.64 Å. There are a spread of La(1)-Bi(1) bond distances ranging from 2.36-3.52 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one Na(1), three equivalent La(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.85 Å. In the second Bi site, Bi(2) is bonded in a distorted bent 120 degrees geometry to one Na(1), one La(1), and one Bi(1) atom.