# generated using pymatgen
data_Li2Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58778500
_cell_length_b   8.59295700
_cell_length_c   12.77888200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cu2(SO4)3
_chemical_formula_sum   'Li8 Cu8 S12 O48'
_cell_volume   943.01078899
_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  0.22249600  0.27626800  0.18591300  1
  Li  Li1  1  0.77750400  0.77626800  0.18591300  1
  Li  Li2  1  0.27750400  0.77626800  0.31408700  1
  Li  Li3  1  0.72249600  0.27626800  0.31408700  1
  Li  Li4  1  0.27750400  0.72373200  0.68591300  1
  Li  Li5  1  0.72249600  0.22373200  0.68591300  1
  Li  Li6  1  0.22249600  0.22373200  0.81408700  1
  Li  Li7  1  0.77750400  0.72373200  0.81408700  1
  Cu  Cu8  1  0.25010400  0.96082600  0.10741900  1
  Cu  Cu9  1  0.74989600  0.46082600  0.10741900  1
  Cu  Cu10  1  0.75010400  0.96082600  0.39258100  1
  Cu  Cu11  1  0.24989600  0.46082600  0.39258100  1
  Cu  Cu12  1  0.24989600  0.03917400  0.60741900  1
  Cu  Cu13  1  0.75010400  0.53917400  0.60741900  1
  Cu  Cu14  1  0.25010400  0.53917400  0.89258100  1
  Cu  Cu15  1  0.74989600  0.03917400  0.89258100  1
  S  S16  1  0.45693700  0.25000000  0.00000000  1
  S  S17  1  0.54306300  0.75000000  0.00000000  1
  S  S18  1  0.10019700  0.60795400  0.14357500  1
  S  S19  1  0.89980300  0.10795400  0.14357500  1
  S  S20  1  0.39980300  0.10795400  0.35642500  1
  S  S21  1  0.60019700  0.60795400  0.35642500  1
  S  S22  1  0.04306300  0.75000000  0.50000000  1
  S  S23  1  0.95693700  0.25000000  0.50000000  1
  S  S24  1  0.39980300  0.39204600  0.64357500  1
  S  S25  1  0.60019700  0.89204600  0.64357500  1
  S  S26  1  0.10019700  0.89204600  0.85642500  1
  S  S27  1  0.89980300  0.39204600  0.85642500  1
  O  O28  1  0.13382000  0.57878000  0.03345100  1
  O  O29  1  0.86618000  0.07878000  0.03345100  1
  O  O30  1  0.54792200  0.36518800  0.05886600  1
  O  O31  1  0.45207800  0.86518800  0.05886600  1
  O  O32  1  0.35405600  0.17198100  0.07967300  1
  O  O33  1  0.64594400  0.67198100  0.07967300  1
  O  O34  1  0.07286900  0.11355800  0.16053300  1
  O  O35  1  0.92713100  0.61355800  0.16053300  1
  O  O36  1  0.16475900  0.76256200  0.17910800  1
  O  O37  1  0.83524100  0.26256200  0.17910800  1
  O  O38  1  0.83286700  0.98575600  0.21200700  1
  O  O39  1  0.16713300  0.48575600  0.21200700  1
  O  O40  1  0.33286700  0.98575600  0.28799300  1
  O  O41  1  0.66713300  0.48575600  0.28799300  1
  O  O42  1  0.66475900  0.76256200  0.32089200  1
  O  O43  1  0.33524100  0.26256200  0.32089200  1
  O  O44  1  0.42713100  0.61355800  0.33946700  1
  O  O45  1  0.57286900  0.11355800  0.33946700  1
  O  O46  1  0.14594400  0.67198100  0.42032700  1
  O  O47  1  0.85405600  0.17198100  0.42032700  1
  O  O48  1  0.04792200  0.36518800  0.44113400  1
  O  O49  1  0.95207800  0.86518800  0.44113400  1
  O  O50  1  0.63382000  0.57878000  0.46654900  1
  O  O51  1  0.36618000  0.07878000  0.46654900  1
  O  O52  1  0.36618000  0.42122000  0.53345100  1
  O  O53  1  0.63382000  0.92122000  0.53345100  1
  O  O54  1  0.04792200  0.13481200  0.55886600  1
  O  O55  1  0.95207800  0.63481200  0.55886600  1
  O  O56  1  0.14594400  0.82801900  0.57967300  1
  O  O57  1  0.85405600  0.32801900  0.57967300  1
  O  O58  1  0.42713100  0.88644200  0.66053300  1
  O  O59  1  0.57286900  0.38644200  0.66053300  1
  O  O60  1  0.33524100  0.23743800  0.67910800  1
  O  O61  1  0.66475900  0.73743800  0.67910800  1
  O  O62  1  0.33286700  0.51424400  0.71200700  1
  O  O63  1  0.66713300  0.01424400  0.71200700  1
  O  O64  1  0.16713300  0.01424400  0.78799300  1
  O  O65  1  0.83286700  0.51424400  0.78799300  1
  O  O66  1  0.16475900  0.73743800  0.82089200  1
  O  O67  1  0.83524100  0.23743800  0.82089200  1
  O  O68  1  0.07286900  0.38644200  0.83946700  1
  O  O69  1  0.92713100  0.88644200  0.83946700  1
  O  O70  1  0.35405600  0.32801900  0.92032700  1
  O  O71  1  0.64594400  0.82801900  0.92032700  1
  O  O72  1  0.45207800  0.63481200  0.94113400  1
  O  O73  1  0.54792200  0.13481200  0.94113400  1
  O  O74  1  0.13382000  0.92122000  0.96654900  1
  O  O75  1  0.86618000  0.42122000  0.96654900  1
