# generated using pymatgen
data_Li6AsS5I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30158577
_cell_length_b   7.30158577
_cell_length_c   12.73374114
_cell_angle_alpha   73.55246201
_cell_angle_beta   73.55246201
_cell_angle_gamma   60.07982720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6AsS5I
_chemical_formula_sum   'Li12 As2 S10 I2'
_cell_volume   556.03433097
_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  0.48005900  0.52602700  0.50748100  1
  Li  Li1  1  0.52602700  0.48005900  0.00748100  1
  Li  Li2  1  0.04316100  0.53641400  0.49024400  1
  Li  Li3  1  0.53641400  0.04316100  0.99024400  1
  Li  Li4  1  0.34636200  0.65897900  0.72972100  1
  Li  Li5  1  0.65897900  0.34636200  0.22972100  1
  Li  Li6  1  0.13999400  0.30812500  0.72735400  1
  Li  Li7  1  0.30812500  0.13999400  0.22735400  1
  Li  Li8  1  0.97573600  0.02867000  0.99964100  1
  Li  Li9  1  0.02867000  0.97573600  0.49964100  1
  Li  Li10  1  0.79942900  0.85678500  0.72954000  1
  Li  Li11  1  0.85678500  0.79942900  0.22954000  1
  As  As12  1  0.01576000  0.51461400  0.99010200  1
  As  As13  1  0.51461400  0.01576000  0.49010200  1
  S  S14  1  0.20262100  0.69548800  0.92722000  1
  S  S15  1  0.69548800  0.20262100  0.42722000  1
  S  S16  1  0.19511300  0.21256300  0.92448300  1
  S  S17  1  0.21256300  0.19511300  0.42448300  1
  S  S18  1  0.45086000  0.96001400  0.67133200  1
  S  S19  1  0.96001400  0.45086000  0.17133200  1
  S  S20  1  0.13540300  0.64204100  0.61926700  1
  S  S21  1  0.64204100  0.13540300  0.11926700  1
  S  S22  1  0.71126100  0.70162200  0.92693700  1
  S  S23  1  0.70162200  0.71126100  0.42693700  1
  I  I24  1  0.75606500  0.26683400  0.74267900  1
  I  I25  1  0.26683400  0.75606500  0.24267900  1
