# generated using pymatgen
data_Li11V12(CuO4)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22335744
_cell_length_b   10.22335744
_cell_length_c   10.65759702
_cell_angle_alpha   77.31742558
_cell_angle_beta   77.31742558
_cell_angle_gamma   117.54338539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li11V12(CuO4)12
_chemical_formula_sum   'Li11 V12 Cu12 O48'
_cell_volume   894.72248502
_cell_formula_units_Z   1
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  0.66670400  0.33329600  0.00000000  1
  Li  Li1  1  0.58368800  0.91645700  0.75073800  1
  Li  Li2  1  0.24160900  0.24160900  0.75562800  1
  Li  Li3  1  0.91645700  0.58368800  0.75073800  1
  Li  Li4  1  0.50000000  0.50000000  0.50000000  1
  Li  Li5  1  0.33329600  0.66670400  0.00000000  1
  Li  Li6  1  0.41631200  0.08354300  0.24926200  1
  Li  Li7  1  0.08354300  0.41631200  0.24926200  1
  Li  Li8  1  0.75839100  0.75839100  0.24437200  1
  Li  Li9  1  0.16636000  0.83364000  0.50000000  1
  Li  Li10  1  0.83364000  0.16636000  0.50000000  1
  V  V11  1  0.60810300  0.27514400  0.69323700  1
  V  V12  1  0.55560200  0.55560200  0.80788100  1
  V  V13  1  0.27514400  0.60810300  0.69323700  1
  V  V14  1  0.94171600  0.94171600  0.69126600  1
  V  V15  1  0.88978700  0.22616900  0.80660000  1
  V  V16  1  0.44439800  0.44439800  0.19211900  1
  V  V17  1  0.22616900  0.88978700  0.80660000  1
  V  V18  1  0.72485600  0.39189700  0.30676300  1
  V  V19  1  0.77383100  0.11021300  0.19340000  1
  V  V20  1  0.05828400  0.05828400  0.30873400  1
  V  V21  1  0.39189700  0.72485600  0.30676300  1
  V  V22  1  0.11021300  0.77383100  0.19340000  1
  Cu  Cu23  1  0.16212000  0.32805500  0.99862900  1
  Cu  Cu24  1  0.00000000  0.50000000  0.00000000  1
  Cu  Cu25  1  0.67194500  0.83788000  0.00137100  1
  Cu  Cu26  1  0.50000000  0.00000000  0.00000000  1
  Cu  Cu27  1  0.32805500  0.16212000  0.99862900  1
  Cu  Cu28  1  0.33291700  0.16633300  0.49975300  1
  Cu  Cu29  1  0.66708300  0.83366700  0.50024700  1
  Cu  Cu30  1  0.83788000  0.67194500  0.00137100  1
  Cu  Cu31  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu32  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu33  1  0.16633300  0.33291700  0.49975300  1
  Cu  Cu34  1  0.83366700  0.66708300  0.50024700  1
  O  O35  1  0.80029100  0.46706900  0.61662800  1
  O  O36  1  0.63320900  0.63320900  0.61633800  1
  O  O37  1  0.80757200  0.96650700  0.63616100  1
  O  O38  1  0.14165900  0.63297500  0.63727200  1
  O  O39  1  0.47538300  0.30034800  0.63667800  1
  O  O40  1  0.30034800  0.47538300  0.63667800  1
  O  O41  1  0.63297500  0.14165900  0.63727200  1
  O  O42  1  0.69046600  0.53236300  0.86230000  1
  O  O43  1  0.46706900  0.80029100  0.61662800  1
  O  O44  1  0.13453000  0.13453000  0.61754600  1
  O  O45  1  0.30055500  0.96640200  0.61485600  1
  O  O46  1  0.80004400  0.46757300  0.11670400  1
  O  O47  1  0.63558300  0.63558300  0.11619600  1
  O  O48  1  0.96640200  0.30055500  0.61485600  1
  O  O49  1  0.19995600  0.53242700  0.88329600  1
  O  O50  1  0.53242700  0.19995600  0.88329600  1
  O  O51  1  0.69881000  0.03168400  0.88390300  1
  O  O52  1  0.36441700  0.36441700  0.88380400  1
  O  O53  1  0.96650700  0.80757200  0.63616100  1
  O  O54  1  0.30953400  0.46763700  0.13770000  1
  O  O55  1  0.20870600  0.02594400  0.85802700  1
  O  O56  1  0.02594400  0.20870600  0.85802700  1
  O  O57  1  0.86569200  0.36028000  0.86269000  1
  O  O58  1  0.53236300  0.69046600  0.86230000  1
  O  O59  1  0.36028000  0.86569200  0.86269000  1
  O  O60  1  0.69965200  0.52461700  0.36332200  1
  O  O61  1  0.63972000  0.13430800  0.13731000  1
  O  O62  1  0.79129400  0.97405600  0.14197300  1
  O  O63  1  0.46763700  0.30953400  0.13770000  1
  O  O64  1  0.13430800  0.63972000  0.13731000  1
  O  O65  1  0.30119000  0.96831600  0.11609700  1
  O  O66  1  0.96831600  0.30119000  0.11609700  1
  O  O67  1  0.13798800  0.13798800  0.12136900  1
  O  O68  1  0.46757300  0.80004400  0.11670400  1
  O  O69  1  0.69944500  0.03359800  0.38514400  1
  O  O70  1  0.86201200  0.86201200  0.87863100  1
  O  O71  1  0.36679100  0.36679100  0.38366200  1
  O  O72  1  0.03168400  0.69881000  0.88390300  1
  O  O73  1  0.53293100  0.19970900  0.38337200  1
  O  O74  1  0.19970900  0.53293100  0.38337200  1
  O  O75  1  0.03349300  0.19242800  0.36383900  1
  O  O76  1  0.52461700  0.69965200  0.36332200  1
  O  O77  1  0.36702500  0.85834100  0.36272800  1
  O  O78  1  0.97405600  0.79129400  0.14197300  1
  O  O79  1  0.85834100  0.36702500  0.36272800  1
  O  O80  1  0.19242800  0.03349300  0.36383900  1
  O  O81  1  0.03359800  0.69944500  0.38514400  1
  O  O82  1  0.86547000  0.86547000  0.38245400  1
