# generated using pymatgen
data_Li2MnCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53160800
_cell_length_b   9.90018091
_cell_length_c   9.26895880
_cell_angle_alpha   82.82026144
_cell_angle_beta   90.00071237
_cell_angle_gamma   90.00358838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnCSO7
_chemical_formula_sum   'Li8 Mn4 C4 S4 O28'
_cell_volume   594.66921022
_cell_formula_units_Z   4
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  0.51458500  0.10576400  0.16975100  1
  Li  Li1  1  0.51463900  0.60582600  0.16963100  1
  Li  Li2  1  0.98546600  0.10569600  0.16980100  1
  Li  Li3  1  0.98549300  0.60586800  0.16969600  1
  Li  Li4  1  0.48544400  0.39415800  0.83031100  1
  Li  Li5  1  0.48547200  0.89427300  0.83024100  1
  Li  Li6  1  0.01464900  0.39421800  0.83026500  1
  Li  Li7  1  0.01452200  0.89417300  0.83022700  1
  Mn  Mn8  1  0.74969700  0.87666500  0.36273900  1
  Mn  Mn9  1  0.24996000  0.12342200  0.63731800  1
  Mn  Mn10  1  0.74990800  0.37685200  0.36254600  1
  Mn  Mn11  1  0.24995600  0.62314300  0.63731300  1
  C  C12  1  0.75007900  0.36535800  0.07459300  1
  C  C13  1  0.74995200  0.86535100  0.07477600  1
  C  C14  1  0.24997400  0.13461600  0.92536000  1
  C  C15  1  0.25009500  0.63464900  0.92531400  1
  S  S16  1  0.25004600  0.38110400  0.40315400  1
  S  S17  1  0.24987800  0.88110700  0.40333800  1
  S  S18  1  0.74988800  0.11895900  0.59670100  1
  S  S19  1  0.75008500  0.61883900  0.59680800  1
  O  O20  1  0.25004400  0.14845000  0.06102600  1
  O  O21  1  0.25006400  0.64857600  0.06095900  1
  O  O22  1  0.75005000  0.35143100  0.93896600  1
  O  O23  1  0.74997400  0.85141400  0.93919300  1
  O  O24  1  0.75009500  0.48490700  0.12047200  1
  O  O25  1  0.74996500  0.98488700  0.12069500  1
  O  O26  1  0.24994700  0.01512600  0.87937200  1
  O  O27  1  0.25008500  0.51509200  0.87943500  1
  O  O28  1  0.75007200  0.25869800  0.17551700  1
  O  O29  1  0.74990900  0.75866600  0.17571700  1
  O  O30  1  0.24994700  0.24133800  0.82450500  1
  O  O31  1  0.25011600  0.74129500  0.82440400  1
  O  O32  1  0.74990400  0.07653700  0.44873000  1
  O  O33  1  0.75016100  0.57671000  0.44873400  1
  O  O34  1  0.25005600  0.42331100  0.55119900  1
  O  O35  1  0.24988900  0.92343400  0.55128700  1
  O  O36  1  0.25000800  0.22868100  0.41977400  1
  O  O37  1  0.25002000  0.72867600  0.41997800  1
  O  O38  1  0.75002300  0.27140000  0.57991300  1
  O  O39  1  0.75000600  0.77127700  0.58031800  1
  O  O40  1  0.06674800  0.43392800  0.31878500  1
  O  O41  1  0.06649500  0.93376600  0.31895600  1
  O  O42  1  0.43339600  0.43389100  0.31883100  1
  O  O43  1  0.43318100  0.93391600  0.31889500  1
  O  O44  1  0.56653500  0.06634600  0.68105700  1
  O  O45  1  0.56683700  0.56591300  0.68114700  1
  O  O46  1  0.93316700  0.06622200  0.68116500  1
  O  O47  1  0.93351800  0.56606900  0.68108700  1
