# generated using pymatgen
data_LiInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89767991
_cell_length_b   6.89767991
_cell_length_c   6.89767991
_cell_angle_alpha   131.49898286
_cell_angle_beta   131.49898286
_cell_angle_gamma   71.02148941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInSe2
_chemical_formula_sum   'Li2 In2 Se4'
_cell_volume   180.26168279
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  In  In2  1  0.50000000  0.50000000  0.00000000  1
  In  In3  1  0.25000000  0.75000000  0.50000000  1
  Se  Se4  1  0.01077000  0.51077000  0.50000000  1
  Se  Se5  1  0.73923000  0.73923000  0.00000000  1
  Se  Se6  1  0.48923000  0.98923000  0.50000000  1
  Se  Se7  1  0.26077000  0.26077000  0.00000000  1
