# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.81087218
_cell_length_b   10.81087218
_cell_length_c   11.16393600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li12 Cu12 P12 O48'
_cell_volume   1129.97654872
_cell_formula_units_Z   12
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  0.50000000  0.01426900  1
  Li  Li1  1  0.00000000  0.50000000  0.65239800  1
  Li  Li2  1  0.00000000  0.50000000  0.33333300  1
  Li  Li3  1  0.00000000  0.00000000  0.16666700  1
  Li  Li4  1  0.00000000  0.00000000  0.50000000  1
  Li  Li5  1  0.00000000  0.00000000  0.83333300  1
  Li  Li6  1  0.50000000  0.50000000  0.34760200  1
  Li  Li7  1  0.50000000  0.50000000  0.66666700  1
  Li  Li8  1  0.50000000  0.50000000  0.98573100  1
  Li  Li9  1  0.50000000  0.00000000  0.31906500  1
  Li  Li10  1  0.50000000  0.00000000  0.00000000  1
  Li  Li11  1  0.50000000  0.00000000  0.68093500  1
  Cu  Cu12  1  0.00000000  0.76517200  0.33333300  1
  Cu  Cu13  1  0.24668600  0.75331400  0.66666700  1
  Cu  Cu14  1  0.00000000  0.23482800  0.33333300  1
  Cu  Cu15  1  0.24668600  0.49337200  0.00000000  1
  Cu  Cu16  1  0.23482800  0.23482800  0.66666700  1
  Cu  Cu17  1  0.50662800  0.75331400  0.33333300  1
  Cu  Cu18  1  0.23482800  0.00000000  0.00000000  1
  Cu  Cu19  1  0.49337200  0.24668600  0.33333300  1
  Cu  Cu20  1  0.76517200  0.76517200  0.66666700  1
  Cu  Cu21  1  0.75331400  0.50662800  0.00000000  1
  Cu  Cu22  1  0.75331400  0.24668600  0.66666700  1
  Cu  Cu23  1  0.76517200  0.00000000  0.00000000  1
  P  P24  1  0.00000000  0.74081000  0.83333300  1
  P  P25  1  0.00000000  0.25919000  0.83333300  1
  P  P26  1  0.25013900  0.74986100  0.16666700  1
  P  P27  1  0.25013900  0.50027800  0.50000000  1
  P  P28  1  0.49972200  0.74986100  0.83333300  1
  P  P29  1  0.25919000  0.25919000  0.16666700  1
  P  P30  1  0.25919000  0.00000000  0.50000000  1
  P  P31  1  0.74081000  0.74081000  0.16666700  1
  P  P32  1  0.50027800  0.25013900  0.83333300  1
  P  P33  1  0.74986100  0.49972200  0.50000000  1
  P  P34  1  0.74986100  0.25013900  0.16666700  1
  P  P35  1  0.74081000  0.00000000  0.50000000  1
  O  O36  1  0.10549000  0.88178100  0.46318200  1
  O  O37  1  0.11821900  0.89451000  0.87015100  1
  O  O38  1  0.04964500  0.68188500  0.72950100  1
  O  O39  1  0.12160800  0.70524900  0.25086900  1
  O  O40  1  0.29475100  0.87839200  0.08246400  1
  O  O41  1  0.31811500  0.95035500  0.60383200  1
  O  O42  1  0.19757300  0.58677200  0.57461900  1
  O  O43  1  0.04964500  0.36776100  0.93716600  1
  O  O44  1  0.19757300  0.61080100  0.09204800  1
  O  O45  1  0.12160800  0.41635900  0.41579700  1
  O  O46  1  0.10549000  0.22370900  0.20348500  1
  O  O47  1  0.41322800  0.80242700  0.75871500  1
  O  O48  1  0.38919900  0.80242700  0.24128500  1
  O  O49  1  0.11821900  0.22370900  0.79651500  1
  O  O50  1  0.29475100  0.41635900  0.58420300  1
  O  O51  1  0.41322800  0.61080100  0.90795200  1
  O  O52  1  0.31811500  0.36776100  0.06283400  1
  O  O53  1  0.38919900  0.58677200  0.42538100  1
  O  O54  1  0.22370900  0.11821900  0.53681800  1
  O  O55  1  0.22370900  0.10549000  0.12984900  1
  O  O56  1  0.63223900  0.95035500  0.39616800  1
  O  O57  1  0.58364100  0.87839200  0.91753600  1
  O  O58  1  0.58364100  0.70524900  0.74913100  1
  O  O59  1  0.36776100  0.31811500  0.27049900  1
  O  O60  1  0.63223900  0.68188500  0.27049900  1
  O  O61  1  0.41635900  0.29475100  0.74913100  1
  O  O62  1  0.41635900  0.12160800  0.91753600  1
  O  O63  1  0.36776100  0.04964500  0.39616800  1
  O  O64  1  0.77629100  0.89451000  0.12984900  1
  O  O65  1  0.77629100  0.88178100  0.53681800  1
  O  O66  1  0.61080100  0.41322800  0.42538100  1
  O  O67  1  0.68188500  0.63223900  0.06283400  1
  O  O68  1  0.58677200  0.38919900  0.90795200  1
  O  O69  1  0.70524900  0.58364100  0.58420300  1
  O  O70  1  0.88178100  0.77629100  0.79651500  1
  O  O71  1  0.61080100  0.19757300  0.24128500  1
  O  O72  1  0.58677200  0.19757300  0.75871500  1
  O  O73  1  0.89451000  0.77629100  0.20348500  1
  O  O74  1  0.87839200  0.58364100  0.41579700  1
  O  O75  1  0.80242700  0.38919900  0.09204800  1
  O  O76  1  0.95035500  0.63223900  0.93716600  1
  O  O77  1  0.80242700  0.41322800  0.57461900  1
  O  O78  1  0.68188500  0.04964500  0.60383200  1
  O  O79  1  0.70524900  0.12160800  0.08246400  1
  O  O80  1  0.87839200  0.29475100  0.25086900  1
  O  O81  1  0.95035500  0.31811500  0.72950100  1
  O  O82  1  0.88178100  0.10549000  0.87015100  1
  O  O83  1  0.89451000  0.11821900  0.46318200  1
