# generated using pymatgen
data_Li2In2GeSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52404528
_cell_length_b   7.52404528
_cell_length_c   12.88569812
_cell_angle_alpha   73.08112445
_cell_angle_beta   73.08112445
_cell_angle_gamma   60.83523121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2In2GeSe6
_chemical_formula_sum   'Li4 In4 Ge2 Se12'
_cell_volume   599.62628856
_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  0.01415400  0.40415000  0.84137900  1
  Li  Li1  1  0.40415000  0.01415400  0.34137900  1
  Li  Li2  1  0.60337300  0.40117800  0.49652100  1
  Li  Li3  1  0.40117800  0.60337300  0.99652100  1
  In  In4  1  0.93057900  0.11070400  0.18832100  1
  In  In5  1  0.11070400  0.93057900  0.68832100  1
  In  In6  1  0.91494000  0.77319200  0.49239000  1
  In  In7  1  0.77319200  0.91494000  0.99239000  1
  Ge  Ge8  1  0.00574600  0.54314400  0.24733100  1
  Ge  Ge9  1  0.54314400  0.00574600  0.74733100  1
  Se  Se10  1  0.77076700  0.25981700  0.00681600  1
  Se  Se11  1  0.25981700  0.77076700  0.50681600  1
  Se  Se12  1  0.12100900  0.67170600  0.87863300  1
  Se  Se13  1  0.67170600  0.12100900  0.37863300  1
  Se  Se14  1  0.21556200  0.71907200  0.19411200  1
  Se  Se15  1  0.71907200  0.21556200  0.69411200  1
  Se  Se16  1  0.67841300  0.72671400  0.19482200  1
  Se  Se17  1  0.72671400  0.67841300  0.69482200  1
  Se  Se18  1  0.21139400  0.24072800  0.16729400  1
  Se  Se19  1  0.24072800  0.21139400  0.66729400  1
  Se  Se20  1  0.95992400  0.43601400  0.44113000  1
  Se  Se21  1  0.43601400  0.95992400  0.94113000  1
