data_Li2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiSe
_chemical_formula_sum   'Li2 Bi1 Se1'
_cell_volume   84.79
_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  Li1  1  0.31  0.0  0.99  1.0
  Li  Li2  1  0.0  0.31  0.99  1.0
  Bi  Bi0  1  0.31  0.31  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Li2BiSe
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.98
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Li2BiSe
_chemical_formula_sum   'Li4 Bi2 Se2'
_cell_volume   169.58
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.0  0.15  0.15  1.0
  Bi  Bi1  2  0.0  0.0  0.31  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Li Li Bi Se
Li Li Bi Se 0 3 o o + 0 2 o o + 1 3 o o + 1 2 o o + 
Li2BiSe is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2BiSe clusters. Li(1) is bonded in an L-shaped geometry to one Bi(1) and one Se(1) atom. The Li(1)-Bi(1) bond length is 1.42 Å. The Li(1)-Se(1) bond length is 1.42 Å. Bi(1) is bonded in an L-shaped geometry to two equivalent Li(1) atoms. Se(1) is bonded in an L-shaped geometry to two equivalent Li(1) atoms.