# generated using pymatgen
data_LiAlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55471648
_cell_length_b   6.84681982
_cell_length_c   8.27528724
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlSe2
_chemical_formula_sum   'Li4 Al4 Se8'
_cell_volume   371.38630746
_cell_formula_units_Z   4
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  0.00345576  0.58676778  0.87850744  1
  Li  Li1  1  0.50345576  0.41323222  0.12149256  1
  Li  Li2  1  0.50345576  0.91323222  0.37850744  1
  Li  Li3  1  0.00345576  0.08676778  0.62149256  1
  Al  Al4  1  0.99934702  0.57371992  0.37397430  1
  Al  Al5  1  0.49934702  0.42628008  0.62602570  1
  Al  Al6  1  0.49934702  0.92628008  0.87397430  1
  Al  Al7  1  0.99934702  0.07371992  0.12602570  1
  Se  Se8  1  0.11316912  0.90589831  0.36312650  1
  Se  Se9  1  0.61316912  0.09410169  0.63687350  1
  Se  Se10  1  0.61316912  0.59410169  0.86312650  1
  Se  Se11  1  0.11316912  0.40589831  0.13687350  1
  Se  Se12  1  0.63382810  0.56422365  0.38378930  1
  Se  Se13  1  0.13382810  0.43577635  0.61621070  1
  Se  Se14  1  0.13382810  0.93577635  0.88378930  1
  Se  Se15  1  0.63382810  0.06422365  0.11621070  1
