# generated using pymatgen
data_LiInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98141804
_cell_length_b   5.98141853
_cell_length_c   7.24401613
_cell_angle_alpha   114.38414331
_cell_angle_beta   114.38414736
_cell_angle_gamma   90.00000879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInSe2
_chemical_formula_sum   'Li2 In2 Se4'
_cell_volume   210.40947671
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  In  In2  1  0.25000000  0.75000000  0.50000000  1
  In  In3  1  0.00000000  0.00000000  0.00000000  1
  Se  Se4  1  0.86759225  0.87500000  0.25000000  1
  Se  Se5  1  0.62500000  0.13240775  0.75000000  1
  Se  Se6  1  0.38240775  0.37500000  0.25000000  1
  Se  Se7  1  0.12500000  0.61759225  0.75000000  1
