# generated using pymatgen
data_Li9Cu3P8O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80154255
_cell_length_b   9.80154255
_cell_length_c   13.77274000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Cu3P8O29
_chemical_formula_sum   'Li18 Cu6 P16 O58'
_cell_volume   1145.88180495
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.09768100  0.33292600  0.06445700  1
  Li  Li3  1  0.23524400  0.33292600  0.56445700  1
  Li  Li4  1  0.09768100  0.76475600  0.56445700  1
  Li  Li5  1  0.33333300  0.66666700  0.87876600  1
  Li  Li6  1  0.33333300  0.66666700  0.37876600  1
  Li  Li7  1  0.23524400  0.90231900  0.06445700  1
  Li  Li8  1  0.66707400  0.76475600  0.06445700  1
  Li  Li9  1  0.33292600  0.09768100  0.43554300  1
  Li  Li10  1  0.66707400  0.90231900  0.56445700  1
  Li  Li11  1  0.33292600  0.23524400  0.93554300  1
  Li  Li12  1  0.76475600  0.09768100  0.93554300  1
  Li  Li13  1  0.66666700  0.33333300  0.12123400  1
  Li  Li14  1  0.66666700  0.33333300  0.62123400  1
  Li  Li15  1  0.90231900  0.23524400  0.43554300  1
  Li  Li16  1  0.76475600  0.66707400  0.43554300  1
  Li  Li17  1  0.90231900  0.66707400  0.93554300  1
  Cu  Cu18  1  0.00000000  0.43456200  0.25000000  1
  Cu  Cu19  1  0.00000000  0.56543800  0.75000000  1
  Cu  Cu20  1  0.43456200  0.43456200  0.75000000  1
  Cu  Cu21  1  0.56543800  0.56543800  0.25000000  1
  Cu  Cu22  1  0.43456200  0.00000000  0.25000000  1
  Cu  Cu23  1  0.56543800  0.00000000  0.75000000  1
  P  P24  1  0.09071900  0.31885800  0.84335500  1
  P  P25  1  0.22813900  0.31885800  0.34335500  1
  P  P26  1  0.09071900  0.77186100  0.34335500  1
  P  P27  1  0.33333300  0.66666700  0.62452000  1
  P  P28  1  0.33333300  0.66666700  0.12452000  1
  P  P29  1  0.22813900  0.90928100  0.84335500  1
  P  P30  1  0.31885800  0.09071900  0.65664500  1
  P  P31  1  0.68114200  0.77186100  0.84335500  1
  P  P32  1  0.31885800  0.22813900  0.15664500  1
  P  P33  1  0.68114200  0.90928100  0.34335500  1
  P  P34  1  0.77186100  0.09071900  0.15664500  1
  P  P35  1  0.66666700  0.33333300  0.37548000  1
  P  P36  1  0.66666700  0.33333300  0.87548000  1
  P  P37  1  0.90928100  0.22813900  0.65664500  1
  P  P38  1  0.77186100  0.68114200  0.65664500  1
  P  P39  1  0.90928100  0.68114200  0.15664500  1
  O  O40  1  0.00000000  0.21395100  0.75000000  1
  O  O41  1  0.00103200  0.22778600  0.56721300  1
  O  O42  1  0.07766300  0.33064600  0.34470300  1
  O  O43  1  0.21395100  0.21395100  0.25000000  1
  O  O44  1  0.22675400  0.22778600  0.06721300  1
  O  O45  1  0.25298300  0.33064600  0.84470300  1
  O  O46  1  0.11123300  0.48421500  0.83318900  1
  O  O47  1  0.19012700  0.50946700  0.16009400  1
  O  O48  1  0.11123300  0.62701800  0.33318900  1
  O  O49  1  0.00103200  0.77324600  0.06721300  1
  O  O50  1  0.00000000  0.78604900  0.25000000  1
  O  O51  1  0.07766300  0.74701700  0.84470300  1
  O  O52  1  0.31934000  0.50946700  0.66009400  1
  O  O53  1  0.37298200  0.48421500  0.33318900  1
  O  O54  1  0.19012700  0.68066000  0.66009400  1
  O  O55  1  0.33333300  0.66666700  0.51396500  1
  O  O56  1  0.33333300  0.66666700  0.01396500  1
  O  O57  1  0.31934000  0.80987300  0.16009400  1
  O  O58  1  0.51578500  0.62701800  0.83318900  1
  O  O59  1  0.49053300  0.68066000  0.16009400  1
  O  O60  1  0.25298300  0.92233700  0.34470300  1
  O  O61  1  0.21395100  0.00000000  0.75000000  1
  O  O62  1  0.22675400  0.99896800  0.56721300  1
  O  O63  1  0.22778600  0.00103200  0.93278700  1
  O  O64  1  0.37298200  0.88876700  0.83318900  1
  O  O65  1  0.49053300  0.80987300  0.66009400  1
  O  O66  1  0.33064600  0.07766300  0.15529700  1
  O  O67  1  0.51578500  0.88876700  0.33318900  1
  O  O68  1  0.66935400  0.74701700  0.34470300  1
  O  O69  1  0.22778600  0.22675400  0.43278700  1
  O  O70  1  0.77221400  0.77324600  0.56721300  1
  O  O71  1  0.78604900  0.78604900  0.75000000  1
  O  O72  1  0.33064600  0.25298300  0.65529700  1
  O  O73  1  0.48421500  0.11123300  0.66681100  1
  O  O74  1  0.66935400  0.92233700  0.84470300  1
  O  O75  1  0.50946700  0.19012700  0.33990600  1
  O  O76  1  0.62701800  0.11123300  0.16681100  1
  O  O77  1  0.77221400  0.99896800  0.06721300  1
  O  O78  1  0.77324600  0.00103200  0.43278700  1
  O  O79  1  0.78604900  0.00000000  0.25000000  1
  O  O80  1  0.74701700  0.07766300  0.65529700  1
  O  O81  1  0.50946700  0.31934000  0.83990600  1
  O  O82  1  0.48421500  0.37298200  0.16681100  1
  O  O83  1  0.68066000  0.19012700  0.83990600  1
  O  O84  1  0.66666700  0.33333300  0.48603500  1
  O  O85  1  0.66666700  0.33333300  0.98603500  1
  O  O86  1  0.80987300  0.31934000  0.33990600  1
  O  O87  1  0.62701800  0.51578500  0.66681100  1
  O  O88  1  0.68066000  0.49053300  0.33990600  1
  O  O89  1  0.92233700  0.25298300  0.15529700  1
  O  O90  1  0.99896800  0.22675400  0.93278700  1
  O  O91  1  0.88876700  0.37298200  0.66681100  1
  O  O92  1  0.80987300  0.49053300  0.83990600  1
  O  O93  1  0.88876700  0.51578500  0.16681100  1
  O  O94  1  0.74701700  0.66935400  0.15529700  1
  O  O95  1  0.77324600  0.77221400  0.93278700  1
  O  O96  1  0.92233700  0.66935400  0.65529700  1
  O  O97  1  0.99896800  0.77221400  0.43278700  1
