data_LiCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoBi2
_chemical_formula_sum   'Li1 Co1 Bi2'
_cell_volume   84.91
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.85  1.0
  Bi  Bi0  1  0.3  0.0  0.19  1.0
  Bi  Bi1  1  0.3  0.0  0.51  1.0

data_LiCoBi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCoBi2
_chemical_formula_sum   'Li1 Co1 Bi2'
_cell_volume   84.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.85  1.0
  Bi  Bi2  1  0.3  0.0  0.19  1.0
  Bi  Bi3  1  0.3  0.0  0.51  1.0

Li Co Bi Bi
Li Co Bi Bi 0 1 o o - 0 2 o o o 1 3 o o o 2 3 o o o 
LiCoBi2 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Bi(1) atom. The Li(1)-Co(1) bond length is 1.15 Å. The Li(1)-Bi(1) bond length is 1.76 Å. Co(1) is bonded in a single-bond geometry to one Li(1) and two equivalent Bi(2) atoms. There is one shorter (2.79 Å) and one longer (3.50 Å) Co(1)-Bi(2) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Li(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 2.49 Å. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to two equivalent Co(1), one Bi(1), and four equivalent Bi(2) atoms. All Bi(2)-Bi(2) bond lengths are 3.32 Å.