data_LiZrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   4.56
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrSe2
_chemical_formula_sum   'Li1 Zr1 Se2'
_cell_volume   75.45
_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  Li0  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.28  0.46  1.0
  Se  Se1  1  0.68  0.0  0.46  1.0
  Se  Se2  1  0.68  0.28  0.0  1.0

data_LiZrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.56
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrSe2
_chemical_formula_sum   'Li1 Zr1 Se2'
_cell_volume   75.45
_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  Li0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.28  0.46  1.0
  Se  Se2  1  0.68  0.0  0.46  1.0
  Se  Se3  1  0.68  0.28  0.0  1.0

Li Zr Se Se
LiSeZrSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one lambda1-selanyllithium molecule and one selanylidenezirconium molecule.