data_La2TiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiBi
_chemical_formula_sum   'La2 Ti1 Bi1'
_cell_volume   113.15
_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  La1  1  0.43  0.0  0.39  1.0
  La  La2  1  0.0  0.43  0.39  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.43  0.43  0.0  1.0

data_La2TiBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TiBi
_chemical_formula_sum   'La4 Ti2 Bi2'
_cell_volume   226.29
_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
  La  La0  4  0.22  0.22  0.39  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.43  0.0  0.0  1.0

La La Ti Bi
La2TiBi crystallizes in the monoclinic Cm space group. La(1) is bonded in a 2-coordinate geometry to four equivalent Ti(1) and four equivalent Bi(1) atoms. There are a spread of La(1)-Ti(1) bond distances ranging from 2.82-4.01 Å. There are a spread of La(1)-Bi(1) bond distances ranging from 2.82-4.01 Å. Ti(1) is bonded in a 11-coordinate geometry to eight equivalent La(1) and three equivalent Bi(1) atoms. There is one shorter (2.97 Å) and two longer (3.47 Å) Ti(1)-Bi(1) bond lengths. Bi(1) is bonded in a 11-coordinate geometry to eight equivalent La(1) and three equivalent Ti(1) atoms.