# generated using pymatgen
data_Li5V6(CuO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96984600
_cell_length_b   8.14935300
_cell_length_c   12.79813389
_cell_angle_alpha   72.71011137
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5V6(CuO4)6
_chemical_formula_sum   'Li10 V12 Cu12 O48'
_cell_volume   893.25038109
_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  0.00007500  0.66787500  0.66651400  1
  Li  Li1  1  0.99764500  0.83774200  0.83726400  1
  Li  Li2  1  0.49764500  0.16225800  0.66273600  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Li  Li4  1  0.50007500  0.33212500  0.83348600  1
  Li  Li5  1  0.49992500  0.66787500  0.16651400  1
  Li  Li6  1  0.00235500  0.16225800  0.16273600  1
  Li  Li7  1  0.50235500  0.83774200  0.33726400  1
  Li  Li8  1  0.00000000  0.50000000  0.50000000  1
  Li  Li9  1  0.99992500  0.33212500  0.33348600  1
  V  V10  1  0.13408700  0.41985400  0.91580700  1
  V  V11  1  0.36485400  0.74837300  0.75219300  1
  V  V12  1  0.86485400  0.25162700  0.74780700  1
  V  V13  1  0.63293700  0.91660700  0.91624700  1
  V  V14  1  0.86591300  0.58014600  0.08419300  1
  V  V15  1  0.36706300  0.08339300  0.08375300  1
  V  V16  1  0.13514600  0.74837300  0.25219300  1
  V  V17  1  0.36591300  0.41985400  0.41580700  1
  V  V18  1  0.63408700  0.58014600  0.58419300  1
  V  V19  1  0.63514600  0.25162700  0.24780700  1
  V  V20  1  0.86706300  0.91660700  0.41624700  1
  V  V21  1  0.13293700  0.08339300  0.58375300  1
  Cu  Cu22  1  0.25030200  0.41669700  0.66650400  1
  Cu  Cu23  1  0.74535300  0.91622600  0.66533800  1
  Cu  Cu24  1  0.75030200  0.58330300  0.83349600  1
  Cu  Cu25  1  0.24535300  0.08377400  0.83466200  1
  Cu  Cu26  1  0.24488200  0.75232500  0.00105700  1
  Cu  Cu27  1  0.24969800  0.41669700  0.16650400  1
  Cu  Cu28  1  0.75511800  0.24767500  0.99894300  1
  Cu  Cu29  1  0.74969800  0.58330300  0.33349600  1
  Cu  Cu30  1  0.75464700  0.91622600  0.16533800  1
  Cu  Cu31  1  0.25464700  0.08377400  0.33466200  1
  Cu  Cu32  1  0.25511800  0.75232500  0.50105700  1
  Cu  Cu33  1  0.74488200  0.24767500  0.49894300  1
  O  O34  1  0.75024000  0.67416900  0.67279200  1
  O  O35  1  0.02430300  0.57725800  0.83590900  1
  O  O36  1  0.47532700  0.58937700  0.83022700  1
  O  O37  1  0.47545000  0.90296500  0.67793500  1
  O  O38  1  0.74891200  0.49204900  0.99386100  1
  O  O39  1  0.75175700  0.82800200  0.82602300  1
  O  O40  1  0.25175700  0.17199800  0.67397700  1
  O  O41  1  0.24705200  0.83999300  0.84110900  1
  O  O42  1  0.25108800  0.50795100  0.00613900  1
  O  O43  1  0.97584000  0.73096000  0.00520300  1
  O  O44  1  0.97545000  0.09703500  0.82206500  1
  O  O45  1  0.52453000  0.07510700  0.83686300  1
  O  O46  1  0.97569700  0.42274200  0.16409100  1
  O  O47  1  0.97532700  0.41062300  0.66977300  1
  O  O48  1  0.52443100  0.75723200  0.99526900  1
  O  O49  1  0.25024000  0.32583100  0.82720800  1
  O  O50  1  0.25015000  0.66064500  0.16002600  1
  O  O51  1  0.25813400  0.99394600  0.99386600  1
  O  O52  1  0.74985000  0.33935500  0.83997400  1
  O  O53  1  0.74186600  0.00605400  0.00613400  1
  O  O54  1  0.74976000  0.67416900  0.17279200  1
  O  O55  1  0.02416000  0.26904000  0.99479700  1
  O  O56  1  0.47556900  0.24276800  0.00473100  1
  O  O57  1  0.47547000  0.92489300  0.16313700  1
  O  O58  1  0.02455000  0.90296500  0.17793500  1
  O  O59  1  0.02467300  0.58937700  0.33022700  1
  O  O60  1  0.47569700  0.57725800  0.33590900  1
  O  O61  1  0.75294800  0.16000700  0.15889100  1
  O  O62  1  0.74824300  0.82800200  0.32602300  1
  O  O63  1  0.75108800  0.49204900  0.49386100  1
  O  O64  1  0.24824300  0.17199800  0.17397700  1
  O  O65  1  0.25294800  0.83999300  0.34110900  1
  O  O66  1  0.24891200  0.50795100  0.50613900  1
  O  O67  1  0.52455000  0.09703500  0.32206500  1
  O  O68  1  0.97556900  0.75723200  0.49526900  1
  O  O69  1  0.52430300  0.42274200  0.66409100  1
  O  O70  1  0.52467300  0.41062300  0.16977300  1
  O  O71  1  0.97547000  0.07510700  0.33686300  1
  O  O72  1  0.52416000  0.73096000  0.50520300  1
  O  O73  1  0.24976000  0.32583100  0.32720800  1
  O  O74  1  0.24985000  0.66064500  0.66002600  1
  O  O75  1  0.24186600  0.99394600  0.49386600  1
  O  O76  1  0.75015000  0.33935500  0.33997400  1
  O  O77  1  0.75813400  0.00605400  0.50613400  1
  O  O78  1  0.47584000  0.26904000  0.49479700  1
  O  O79  1  0.02453000  0.92489300  0.66313700  1
  O  O80  1  0.02443100  0.24276800  0.50473100  1
  O  O81  1  0.74705200  0.16000700  0.65889100  1
