# generated using pymatgen
data_LiTi(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.74641700
_cell_length_b   8.92579400
_cell_length_c   10.40779847
_cell_angle_alpha   78.73523623
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi(PO3)5
_chemical_formula_sum   'Li4 Ti4 P20 O60'
_cell_volume   1252.41111261
_cell_formula_units_Z   4
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  0.37325200  0.92964500  0.76700000  1
  Li  Li1  1  0.12674800  0.92964500  0.26700000  1
  Li  Li2  1  0.62674800  0.07035500  0.23300000  1
  Li  Li3  1  0.87325200  0.07035500  0.73300000  1
  Ti  Ti4  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti5  1  0.50000000  0.50000000  0.50000000  1
  Ti  Ti6  1  0.00000000  0.50000000  0.50000000  1
  Ti  Ti7  1  0.00000000  0.50000000  0.00000000  1
  P  P8  1  0.91338900  0.82209100  0.56842800  1
  P  P9  1  0.25083500  0.98327900  0.52191900  1
  P  P10  1  0.24916500  0.98327900  0.02191900  1
  P  P11  1  0.41338900  0.17790900  0.93157200  1
  P  P12  1  0.58661100  0.82209100  0.06842800  1
  P  P13  1  0.35646400  0.47328600  0.75692500  1
  P  P14  1  0.92484000  0.81662800  0.08394500  1
  P  P15  1  0.14134600  0.47586000  0.75358300  1
  P  P16  1  0.85646400  0.52671400  0.74307500  1
  P  P17  1  0.85865400  0.52414000  0.24641700  1
  P  P18  1  0.08661100  0.17790900  0.43157200  1
  P  P19  1  0.64353600  0.52671400  0.24307500  1
  P  P20  1  0.35865400  0.47586000  0.25358300  1
  P  P21  1  0.14353600  0.47328600  0.25692500  1
  P  P22  1  0.64134600  0.52414000  0.74641700  1
  P  P23  1  0.57516000  0.81662800  0.58394500  1
  P  P24  1  0.07516000  0.18337200  0.91605500  1
  P  P25  1  0.75083500  0.01672100  0.97808100  1
  P  P26  1  0.74916500  0.01672100  0.47808100  1
  P  P27  1  0.42484000  0.18337200  0.41605500  1
  O  O28  1  0.52294700  0.71208300  0.00628900  1
  O  O29  1  0.02524400  0.29173000  0.99557000  1
  O  O30  1  0.98787200  0.90811100  0.15275200  1
  O  O31  1  0.33399900  0.11449200  0.03920500  1
  O  O32  1  0.88015600  0.49622600  0.39179100  1
  O  O33  1  0.85068700  0.70173300  0.68177500  1
  O  O34  1  0.26920400  0.93709100  0.89521300  1
  O  O35  1  0.73079600  0.06290900  0.10478700  1
  O  O36  1  0.42366500  0.55712500  0.33631500  1
  O  O37  1  0.35674300  0.29924800  0.30855200  1
  O  O38  1  0.26816400  0.87711100  0.64743500  1
  O  O39  1  0.11984400  0.50377400  0.60820900  1
  O  O40  1  0.23079600  0.93709100  0.39521300  1
  O  O41  1  0.75113600  0.46750400  0.22588300  1
  O  O42  1  0.74886400  0.46750400  0.72588300  1
  O  O43  1  0.04059400  0.06668900  0.36354900  1
  O  O44  1  0.84456400  0.89724500  0.98889200  1
  O  O45  1  0.95940600  0.93331100  0.63645100  1
  O  O46  1  0.24886400  0.53249600  0.77411700  1
  O  O47  1  0.76816400  0.12288900  0.85256500  1
  O  O48  1  0.57633500  0.44287500  0.66368500  1
  O  O49  1  0.57838900  0.44355800  0.16089700  1
  O  O50  1  0.97475600  0.70827000  0.00443000  1
  O  O51  1  0.45940600  0.06668900  0.86354900  1
  O  O52  1  0.47705300  0.28791700  0.99371100  1
  O  O53  1  0.51212800  0.90811100  0.65275200  1
  O  O54  1  0.47475600  0.29173000  0.49557000  1
  O  O55  1  0.25113600  0.53249600  0.27411700  1
  O  O56  1  0.16600100  0.11449200  0.53920500  1
  O  O57  1  0.65543600  0.89724500  0.48889200  1
  O  O58  1  0.88020500  0.49841700  0.88732100  1
  O  O59  1  0.48787200  0.09188900  0.34724800  1
  O  O60  1  0.11979500  0.50158300  0.11267900  1
  O  O61  1  0.14931300  0.29826700  0.31822500  1
  O  O62  1  0.92366500  0.44287500  0.16368500  1
  O  O63  1  0.01212800  0.09188900  0.84724800  1
  O  O64  1  0.73183600  0.12288900  0.35256500  1
  O  O65  1  0.83399900  0.88550800  0.46079500  1
  O  O66  1  0.02294700  0.28791700  0.49371100  1
  O  O67  1  0.61984400  0.49622600  0.89179100  1
  O  O68  1  0.97705300  0.71208300  0.50628900  1
  O  O69  1  0.76920400  0.06290900  0.60478700  1
  O  O70  1  0.64931300  0.70173300  0.18177500  1
  O  O71  1  0.14325700  0.29924800  0.80855200  1
  O  O72  1  0.38020500  0.50158300  0.61267900  1
  O  O73  1  0.64325700  0.70075200  0.69144800  1
  O  O74  1  0.61979500  0.49841700  0.38732100  1
  O  O75  1  0.92161100  0.44355800  0.66089700  1
  O  O76  1  0.07633500  0.55712500  0.83631500  1
  O  O77  1  0.54059400  0.93331100  0.13645100  1
  O  O78  1  0.35068700  0.29826700  0.81822500  1
  O  O79  1  0.52524400  0.70827000  0.50443000  1
  O  O80  1  0.38015600  0.50377400  0.10820900  1
  O  O81  1  0.34456400  0.10275500  0.51110800  1
  O  O82  1  0.15543600  0.10275500  0.01110800  1
  O  O83  1  0.42161100  0.55644200  0.83910300  1
  O  O84  1  0.66600100  0.88550800  0.96079500  1
  O  O85  1  0.07838900  0.55644200  0.33910300  1
  O  O86  1  0.23183600  0.87711100  0.14743500  1
  O  O87  1  0.85674300  0.70075200  0.19144800  1
