data_LaNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   142.17
_cell_angle_beta   121.94
_cell_angle_gamma   71.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiBi2
_chemical_formula_sum   'La1 Ni1 Bi2'
_cell_volume   107.16
_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  La2  1  0.0  0.0  0.82  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.88  0.94  1.0
  Bi  Bi1  1  0.93  0.0  0.89  1.0

data_LaNiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.77
_cell_length_c   5.94
_cell_angle_alpha   119.03
_cell_angle_beta   108.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiBi2
_chemical_formula_sum   'La1 Ni1 Bi2'
_cell_volume   107.16
_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  La0  1  0.0  0.82  0.82  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.89  0.96  1.0
  Bi  Bi3  1  0.12  0.05  0.05  1.0

La Ni Bi Bi
LaNiBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaNiBi2 cluster. La(1) is bonded in a single-bond geometry to one Bi(2) atom. The La(1)-Bi(2) bond length is 0.71 Å. Ni(1) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Bi(2) atom. The Ni(1)-Bi(1) bond length is 0.46 Å. The Ni(1)-Bi(2) bond length is 0.58 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second Bi site, Bi(2) is bonded in a water-like geometry to one La(1) and one Ni(1) atom.