# generated using pymatgen
data_Li3Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77893600
_cell_length_b   8.66466600
_cell_length_c   15.25941672
_cell_angle_alpha   55.94953345
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cu2(SO4)3
_chemical_formula_sum   'Li12 Cu8 S12 O48'
_cell_volume   961.71766110
_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  0.91699700  0.37857900  0.69842400  1
  Li  Li1  1  0.30346700  0.33511700  0.75331700  1
  Li  Li2  1  0.22711700  0.03075300  0.17890600  1
  Li  Li3  1  0.72711700  0.96924700  0.32109400  1
  Li  Li4  1  0.80346700  0.66488300  0.74668300  1
  Li  Li5  1  0.41699700  0.62142100  0.80157600  1
  Li  Li6  1  0.58300300  0.37857900  0.19842400  1
  Li  Li7  1  0.19653300  0.33511700  0.25331700  1
  Li  Li8  1  0.27288300  0.03075300  0.67890600  1
  Li  Li9  1  0.77288300  0.96924700  0.82109400  1
  Li  Li10  1  0.69653300  0.66488300  0.24668300  1
  Li  Li11  1  0.08300300  0.62142100  0.30157600  1
  Cu  Cu12  1  0.46428300  0.64836200  0.59825800  1
  Cu  Cu13  1  0.96428300  0.35163800  0.90174200  1
  Cu  Cu14  1  0.54220600  0.14458700  0.09950900  1
  Cu  Cu15  1  0.04220600  0.85541300  0.40049100  1
  Cu  Cu16  1  0.95779400  0.14458700  0.59950900  1
  Cu  Cu17  1  0.45779400  0.85541300  0.90049100  1
  Cu  Cu18  1  0.03571700  0.64836200  0.09825800  1
  Cu  Cu19  1  0.53571700  0.35163800  0.40174200  1
  S  S20  1  0.74964900  0.54503000  0.49387500  1
  S  S21  1  0.61627800  0.25007800  0.85055700  1
  S  S22  1  0.89989500  0.94348900  0.15347300  1
  S  S23  1  0.11627800  0.74992200  0.64944300  1
  S  S24  1  0.39989500  0.05651100  0.34652700  1
  S  S25  1  0.24964900  0.45497000  0.00612500  1
  S  S26  1  0.75035100  0.54503000  0.99387500  1
  S  S27  1  0.60010500  0.94348900  0.65347300  1
  S  S28  1  0.88372200  0.25007800  0.35055700  1
  S  S29  1  0.10010500  0.05651100  0.84652700  1
  S  S30  1  0.38372200  0.74992200  0.14944300  1
  S  S31  1  0.25035100  0.45497000  0.50612500  1
  O  O32  1  0.13191500  0.59799200  0.43835200  1
  O  O33  1  0.11811700  0.23057300  0.84616100  1
  O  O34  1  0.30537800  0.47888300  0.59094200  1
  O  O35  1  0.40430100  0.89514100  0.17307500  1
  O  O36  1  0.62671700  0.52398000  0.56509700  1
  O  O37  1  0.77015600  0.33921500  0.80786800  1
  O  O38  1  0.60739300  0.16682100  0.96389200  1
  O  O39  1  0.02627300  0.90376400  0.23059800  1
  O  O40  1  0.75143200  0.96225700  0.19593000  1
  O  O41  1  0.81766600  0.73555400  0.43783800  1
  O  O42  1  0.93612800  0.10686000  0.05029300  1
  O  O43  1  0.49500600  0.39604300  0.79274300  1
  O  O44  1  0.99500600  0.60395700  0.70725700  1
  O  O45  1  0.43612800  0.89314000  0.44970700  1
  O  O46  1  0.31766600  0.26444600  0.06216200  1
  O  O47  1  0.25143200  0.03774300  0.30407000  1
  O  O48  1  0.10739300  0.83317900  0.53610800  1
  O  O49  1  0.52627300  0.09623600  0.26940200  1
  O  O50  1  0.27015600  0.66078500  0.69213200  1
  O  O51  1  0.12671700  0.47602000  0.93490300  1
  O  O52  1  0.80537800  0.52111700  0.90905800  1
  O  O53  1  0.61811700  0.76942700  0.65383900  1
  O  O54  1  0.90430100  0.10485900  0.32692500  1
  O  O55  1  0.63191500  0.40200800  0.06164800  1
  O  O56  1  0.36808500  0.59799200  0.93835200  1
  O  O57  1  0.09569900  0.89514100  0.67307500  1
  O  O58  1  0.38188300  0.23057300  0.34616100  1
  O  O59  1  0.19462200  0.47888300  0.09094200  1
  O  O60  1  0.87328300  0.52398000  0.06509700  1
  O  O61  1  0.72984400  0.33921500  0.30786800  1
  O  O62  1  0.47372700  0.90376400  0.73059800  1
  O  O63  1  0.89260700  0.16682100  0.46389200  1
  O  O64  1  0.74856800  0.96225700  0.69593000  1
  O  O65  1  0.68233400  0.73555400  0.93783800  1
  O  O66  1  0.56387200  0.10686000  0.55029300  1
  O  O67  1  0.00499400  0.39604300  0.29274300  1
  O  O68  1  0.50499400  0.60395700  0.20725700  1
  O  O69  1  0.06387200  0.89314000  0.94970700  1
  O  O70  1  0.18233400  0.26444600  0.56216200  1
  O  O71  1  0.24856800  0.03774300  0.80407000  1
  O  O72  1  0.97372700  0.09623600  0.76940200  1
  O  O73  1  0.39260700  0.83317900  0.03610800  1
  O  O74  1  0.22984400  0.66078500  0.19213200  1
  O  O75  1  0.37328300  0.47602000  0.43490300  1
  O  O76  1  0.59569900  0.10485900  0.82692500  1
  O  O77  1  0.69462200  0.52111700  0.40905800  1
  O  O78  1  0.88188300  0.76942700  0.15383900  1
  O  O79  1  0.86808500  0.40200800  0.56164800  1
