# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57795000
_cell_length_b   8.57675800
_cell_length_c   17.28716944
_cell_angle_alpha   61.02817113
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li12 Cu12 P12 O48'
_cell_volume   982.96110651
_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  0.97555700  0.28994200  0.93262700  1
  Li  Li1  1  0.02948200  0.64436400  0.58825000  1
  Li  Li2  1  0.90570800  0.00358800  0.24642200  1
  Li  Li3  1  0.40570800  0.99641200  0.25357800  1
  Li  Li4  1  0.52948200  0.35563600  0.91175000  1
  Li  Li5  1  0.47555700  0.71005800  0.56737300  1
  Li  Li6  1  0.52444300  0.28994200  0.43262700  1
  Li  Li7  1  0.47051800  0.64436400  0.08825000  1
  Li  Li8  1  0.59429200  0.00358800  0.74642200  1
  Li  Li9  1  0.09429200  0.99641200  0.75357800  1
  Li  Li10  1  0.97051800  0.35563600  0.41175000  1
  Li  Li11  1  0.02444300  0.71005800  0.06737300  1
  Cu  Cu12  1  0.67287000  0.65316300  0.40566400  1
  Cu  Cu13  1  0.81807000  0.32054600  0.75961100  1
  Cu  Cu14  1  0.67678400  0.01537200  0.07968100  1
  Cu  Cu15  1  0.17678400  0.98462800  0.42031900  1
  Cu  Cu16  1  0.31807000  0.67945400  0.74038900  1
  Cu  Cu17  1  0.17287000  0.34683700  0.09433600  1
  Cu  Cu18  1  0.82713000  0.65316300  0.90566400  1
  Cu  Cu19  1  0.68193000  0.32054600  0.25961100  1
  Cu  Cu20  1  0.82321600  0.01537200  0.57968100  1
  Cu  Cu21  1  0.32321600  0.98462800  0.92031900  1
  Cu  Cu22  1  0.18193000  0.67945400  0.24038900  1
  Cu  Cu23  1  0.32713000  0.34683700  0.59433600  1
  P  P24  1  0.26805700  0.64428200  0.40987500  1
  P  P25  1  0.22347800  0.31158000  0.77006400  1
  P  P26  1  0.27190100  0.03151600  0.07584400  1
  P  P27  1  0.77190100  0.96848400  0.42415600  1
  P  P28  1  0.72347800  0.68842000  0.72993600  1
  P  P29  1  0.76805700  0.35571800  0.09012500  1
  P  P30  1  0.23194300  0.64428200  0.90987500  1
  P  P31  1  0.27652200  0.31158000  0.27006400  1
  P  P32  1  0.22809900  0.03151600  0.57584400  1
  P  P33  1  0.72809900  0.96848400  0.92415600  1
  P  P34  1  0.77652200  0.68842000  0.22993600  1
  P  P35  1  0.73194300  0.35571800  0.59012500  1
  O  O36  1  0.55933400  0.43794500  0.60468600  1
  O  O37  1  0.88259900  0.41484500  0.63095000  1
  O  O38  1  0.76651400  0.10342900  0.95838200  1
  O  O39  1  0.04702500  0.26181400  0.82325700  1
  O  O40  1  0.37187500  0.24678300  0.84057600  1
  O  O41  1  0.76674100  0.78921400  0.28450200  1
  O  O42  1  0.23517300  0.57936400  0.50974600  1
  O  O43  1  0.28633100  0.92345500  0.17802500  1
  O  O44  1  0.44756200  0.13528300  0.03720600  1
  O  O45  1  0.23237900  0.51327200  0.70263100  1
  O  O46  1  0.28281100  0.85048400  0.36268700  1
  O  O47  1  0.12607200  0.17543100  0.04544000  1
  O  O48  1  0.62607200  0.82456900  0.45456000  1
  O  O49  1  0.78281100  0.14951600  0.13731300  1
  O  O50  1  0.73237900  0.48672800  0.79736900  1
  O  O51  1  0.94756200  0.86471700  0.46279400  1
  O  O52  1  0.78633100  0.07654500  0.32197500  1
  O  O53  1  0.73517300  0.42063600  0.99025400  1
  O  O54  1  0.87187500  0.75321700  0.65942400  1
  O  O55  1  0.26674100  0.21078600  0.21549800  1
  O  O56  1  0.54702500  0.73818600  0.67674300  1
  O  O57  1  0.26651400  0.89657100  0.54161800  1
  O  O58  1  0.38259900  0.58515500  0.86905000  1
  O  O59  1  0.05933400  0.56205500  0.89531400  1
  O  O60  1  0.94066600  0.43794500  0.10468600  1
  O  O61  1  0.61740100  0.41484500  0.13095000  1
  O  O62  1  0.73348600  0.10342900  0.45838200  1
  O  O63  1  0.45297500  0.26181400  0.32325700  1
  O  O64  1  0.73325900  0.78921400  0.78450200  1
  O  O65  1  0.12812500  0.24678300  0.34057600  1
  O  O66  1  0.26482700  0.57936400  0.00974600  1
  O  O67  1  0.21366900  0.92345500  0.67802500  1
  O  O68  1  0.05243800  0.13528300  0.53720600  1
  O  O69  1  0.26762100  0.51327200  0.20263100  1
  O  O70  1  0.21718900  0.85048400  0.86268700  1
  O  O71  1  0.37392800  0.17543100  0.54544000  1
  O  O72  1  0.87392800  0.82456900  0.95456000  1
  O  O73  1  0.71718900  0.14951600  0.63731300  1
  O  O74  1  0.76762100  0.48672800  0.29736900  1
  O  O75  1  0.55243800  0.86471700  0.96279400  1
  O  O76  1  0.71366900  0.07654500  0.82197500  1
  O  O77  1  0.76482700  0.42063600  0.49025400  1
  O  O78  1  0.23325900  0.21078600  0.71549800  1
  O  O79  1  0.62812500  0.75321700  0.15942400  1
  O  O80  1  0.95297500  0.73818600  0.17674300  1
  O  O81  1  0.23348600  0.89657100  0.04161800  1
  O  O82  1  0.11740100  0.58515500  0.36905000  1
  O  O83  1  0.44066600  0.56205500  0.39531400  1
