# generated using pymatgen
data_LiInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86256651
_cell_length_b   7.24550841
_cell_length_c   8.48475601
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInSe2
_chemical_formula_sum   'Li4 In4 Se8'
_cell_volume   421.88568497
_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  0.99926317  0.58785035  0.87673137  1
  Li  Li1  1  0.49926317  0.41214965  0.12326863  1
  Li  Li2  1  0.49926317  0.91214965  0.37673137  1
  Li  Li3  1  0.99926317  0.08785035  0.62326863  1
  In  In4  1  0.99833282  0.58158261  0.37475072  1
  In  In5  1  0.49833282  0.41841739  0.62524928  1
  In  In6  1  0.49833282  0.91841739  0.87475072  1
  In  In7  1  0.99833282  0.08158261  0.12524928  1
  Se  Se8  1  0.61896852  0.07885386  0.12960672  1
  Se  Se9  1  0.11896852  0.92114614  0.87039328  1
  Se  Se10  1  0.11896852  0.42114614  0.62960672  1
  Se  Se11  1  0.61896852  0.57885386  0.37039328  1
  Se  Se12  1  0.12623449  0.41892814  0.12216502  1
  Se  Se13  1  0.62623449  0.58107186  0.87783498  1
  Se  Se14  1  0.62623449  0.08107186  0.62216502  1
  Se  Se15  1  0.12623449  0.91892814  0.37783498  1
