# generated using pymatgen
data_Li4Mn2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68366697
_cell_length_b   9.49456407
_cell_length_c   9.36586872
_cell_angle_alpha   61.78178145
_cell_angle_beta   59.76256552
_cell_angle_gamma   58.45565303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn2C4SO16
_chemical_formula_sum   'Li8 Mn4 C8 S2 O32'
_cell_volume   607.85313504
_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  0.04554100  0.45445900  0.45445900  1
  Li  Li1  1  0.80070500  0.19929500  0.80070500  1
  Li  Li2  1  0.79554100  0.20445900  0.20445900  1
  Li  Li3  1  0.05070500  0.44929500  0.05070500  1
  Li  Li4  1  0.19929500  0.80070500  0.19929500  1
  Li  Li5  1  0.45445900  0.04554100  0.04554100  1
  Li  Li6  1  0.44929500  0.05070500  0.44929500  1
  Li  Li7  1  0.20445900  0.79554100  0.79554100  1
  Mn  Mn8  1  0.62500000  0.62500000  0.62500000  1
  Mn  Mn9  1  0.62500000  0.12500000  0.62500000  1
  Mn  Mn10  1  0.12500000  0.62500000  0.62500000  1
  Mn  Mn11  1  0.62500000  0.62500000  0.12500000  1
  C  C12  1  0.86185000  0.46647400  0.83773100  1
  C  C13  1  0.83773100  0.83394500  0.86185000  1
  C  C14  1  0.83394500  0.83773100  0.46647400  1
  C  C15  1  0.46647400  0.86185000  0.83394500  1
  C  C16  1  0.78352600  0.38815000  0.41605500  1
  C  C17  1  0.41605500  0.41226900  0.78352600  1
  C  C18  1  0.41226900  0.41605500  0.38815000  1
  C  C19  1  0.38815000  0.78352600  0.41226900  1
  S  S20  1  0.00000000  0.00000000  0.00000000  1
  S  S21  1  0.25000000  0.25000000  0.25000000  1
  O  O22  1  0.85115200  0.45090100  0.71551200  1
  O  O23  1  0.98243500  0.71551200  0.45090100  1
  O  O24  1  0.73507600  0.46529500  0.98536400  1
  O  O25  1  0.07598700  0.80715200  0.05520600  1
  O  O26  1  0.98536400  0.81426500  0.73507600  1
  O  O27  1  0.05520600  0.06165400  0.07598700  1
  O  O28  1  0.06165400  0.05520600  0.80715200  1
  O  O29  1  0.42875800  0.54754600  0.25457000  1
  O  O30  1  0.70245400  0.82124200  0.48087400  1
  O  O31  1  0.81426500  0.98536400  0.46529500  1
  O  O32  1  0.80715200  0.07598700  0.06165400  1
  O  O33  1  0.46529500  0.73507600  0.81426500  1
  O  O34  1  0.71551200  0.98243500  0.85115200  1
  O  O35  1  0.45090100  0.85115200  0.98243500  1
  O  O36  1  0.76912600  0.25457000  0.54754600  1
  O  O37  1  0.99543000  0.48087400  0.82124200  1
  O  O38  1  0.25457000  0.76912600  0.42875800  1
  O  O39  1  0.48087400  0.99543000  0.70245400  1
  O  O40  1  0.79909900  0.39884800  0.26756500  1
  O  O41  1  0.53448800  0.26756500  0.39884800  1
  O  O42  1  0.78470500  0.51492400  0.43573500  1
  O  O43  1  0.44284800  0.17401300  0.18834600  1
  O  O44  1  0.43573500  0.26463600  0.78470500  1
  O  O45  1  0.54754600  0.42875800  0.76912600  1
  O  O46  1  0.82124200  0.70245400  0.99543000  1
  O  O47  1  0.18834600  0.19479400  0.44284800  1
  O  O48  1  0.19479400  0.18834600  0.17401300  1
  O  O49  1  0.26463600  0.43573500  0.51492400  1
  O  O50  1  0.17401300  0.44284800  0.19479400  1
  O  O51  1  0.51492400  0.78470500  0.26463600  1
  O  O52  1  0.26756500  0.53448800  0.79909900  1
  O  O53  1  0.39884800  0.79909900  0.53448800  1
