# generated using pymatgen
data_LiPO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51204800
_cell_length_b   13.30120500
_cell_length_c   19.62527469
_cell_angle_alpha   57.39720559
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPO3
_chemical_formula_sum   'Li20 P20 O60'
_cell_volume   1212.13654651
_cell_formula_units_Z   20
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  0.50803000  0.61788600  0.44243300  1
  Li  Li1  1  0.49197000  0.61788600  0.94243300  1
  Li  Li2  1  0.49197000  0.38211400  0.55756700  1
  Li  Li3  1  0.00801600  0.00000000  0.75000000  1
  Li  Li4  1  0.47828600  0.64656200  0.67434700  1
  Li  Li5  1  0.03823500  0.50000000  0.25000000  1
  Li  Li6  1  0.52171400  0.64656200  0.17434700  1
  Li  Li7  1  0.50803000  0.38211400  0.05756700  1
  Li  Li8  1  0.52530400  0.88245300  0.55820800  1
  Li  Li9  1  0.99198400  0.00000000  0.25000000  1
  Li  Li10  1  0.96176500  0.50000000  0.75000000  1
  Li  Li11  1  0.47469600  0.88245300  0.05820800  1
  Li  Li12  1  0.49471000  0.85342200  0.82717700  1
  Li  Li13  1  0.50529000  0.85342200  0.32717700  1
  Li  Li14  1  0.50529000  0.14657800  0.17282300  1
  Li  Li15  1  0.47469600  0.11754700  0.44179200  1
  Li  Li16  1  0.47828600  0.35343800  0.82565300  1
  Li  Li17  1  0.49471000  0.14657800  0.67282300  1
  Li  Li18  1  0.52171400  0.35343800  0.32565300  1
  Li  Li19  1  0.52530400  0.11754700  0.94179200  1
  P  P20  1  0.82809900  0.86197400  0.18360300  1
  P  P21  1  0.81145500  0.67142700  0.79504800  1
  P  P22  1  0.15418100  0.47557900  0.89887700  1
  P  P23  1  0.18731700  0.26935200  0.49158700  1
  P  P24  1  0.18731700  0.73064800  0.00841300  1
  P  P25  1  0.15418100  0.52442100  0.60112300  1
  P  P26  1  0.15631700  0.93584600  0.41731800  1
  P  P27  1  0.17190100  0.13802600  0.81639700  1
  P  P28  1  0.18854500  0.32857300  0.20495200  1
  P  P29  1  0.81268300  0.26935200  0.99158700  1
  P  P30  1  0.82809900  0.13802600  0.31639700  1
  P  P31  1  0.84581900  0.47557900  0.39887700  1
  P  P32  1  0.84581900  0.52442100  0.10112300  1
  P  P33  1  0.17190100  0.86197400  0.68360300  1
  P  P34  1  0.81145500  0.32857300  0.70495200  1
  P  P35  1  0.15631700  0.06415400  0.08268200  1
  P  P36  1  0.18854500  0.67142700  0.29504800  1
  P  P37  1  0.81268300  0.73064800  0.50841300  1
  P  P38  1  0.84368300  0.93584600  0.91731800  1
  P  P39  1  0.84368300  0.06415400  0.58268200  1
  O  O40  1  0.65699700  0.20190700  0.33957400  1
  O  O41  1  0.67787600  0.73750700  0.57308700  1
  O  O42  1  0.05636900  0.80713300  0.48774300  1
  O  O43  1  0.32351500  0.75759900  0.93417600  1
  O  O44  1  0.35473700  0.03084400  0.04557000  1
  O  O45  1  0.25696300  0.09651800  0.76216000  1
  O  O46  1  0.67648500  0.24240100  0.06582400  1
  O  O47  1  0.64526300  0.96915600  0.95443000  1
  O  O48  1  0.08148100  0.59676400  0.04733400  1
  O  O49  1  0.35553800  0.29064300  0.16255700  1
  O  O50  1  0.95009100  0.38783800  0.14874200  1
  O  O51  1  0.21573900  0.06205900  0.15884200  1
  O  O52  1  0.64446200  0.70935700  0.83744300  1
  O  O53  1  0.65184400  0.52772000  0.04761700  1
  O  O54  1  0.35473700  0.96915600  0.45443000  1
  O  O55  1  0.65699700  0.79809300  0.16042600  1
  O  O56  1  0.72275200  0.40517400  0.73389000  1
  O  O57  1  0.20367600  0.44019200  0.83916400  1
  O  O58  1  0.64446200  0.29064300  0.66255700  1
  O  O59  1  0.34300300  0.20190700  0.83957400  1
  O  O60  1  0.08148100  0.40323600  0.45266600  1
  O  O61  1  0.04990900  0.61216200  0.85125800  1
  O  O62  1  0.79632400  0.55980800  0.16083600  1
  O  O63  1  0.67648500  0.75759900  0.43417600  1
  O  O64  1  0.91851900  0.40323600  0.95266600  1
  O  O65  1  0.94363100  0.80713300  0.98774300  1
  O  O66  1  0.07783700  0.02043200  0.90102400  1
  O  O67  1  0.32351500  0.24240100  0.56582400  1
  O  O68  1  0.07783700  0.97956800  0.59897600  1
  O  O69  1  0.78426100  0.06205900  0.65884200  1
  O  O70  1  0.21573900  0.93794100  0.34115800  1
  O  O71  1  0.35553800  0.70935700  0.33744300  1
  O  O72  1  0.78426100  0.93794100  0.84115800  1
  O  O73  1  0.95009100  0.61216200  0.35125800  1
  O  O74  1  0.79632400  0.44019200  0.33916400  1
  O  O75  1  0.92216300  0.97956800  0.09897600  1
  O  O76  1  0.74303700  0.90348200  0.23784000  1
  O  O77  1  0.05636900  0.19286700  0.01225700  1
  O  O78  1  0.92010800  0.78916600  0.71647400  1
  O  O79  1  0.04990900  0.38783800  0.64874200  1
  O  O80  1  0.94363100  0.19286700  0.51225700  1
  O  O81  1  0.92010800  0.21083400  0.78352600  1
  O  O82  1  0.27724800  0.40517400  0.23389000  1
  O  O83  1  0.32212400  0.73750700  0.07308700  1
  O  O84  1  0.34815600  0.52772000  0.54761700  1
  O  O85  1  0.20367600  0.55980800  0.66083600  1
  O  O86  1  0.34300300  0.79809300  0.66042600  1
  O  O87  1  0.67787600  0.26249300  0.92691300  1
  O  O88  1  0.34815600  0.47228000  0.95238300  1
  O  O89  1  0.07989200  0.21083400  0.28352600  1
  O  O90  1  0.07989200  0.78916600  0.21647400  1
  O  O91  1  0.64526300  0.03084400  0.54557000  1
  O  O92  1  0.92216300  0.02043200  0.40102400  1
  O  O93  1  0.32212400  0.26249300  0.42691300  1
  O  O94  1  0.91851900  0.59676400  0.54733400  1
  O  O95  1  0.65184400  0.47228000  0.45238300  1
  O  O96  1  0.27724800  0.59482600  0.26611000  1
  O  O97  1  0.25696300  0.90348200  0.73784000  1
  O  O98  1  0.74303700  0.09651800  0.26216000  1
  O  O99  1  0.72275200  0.59482600  0.76611000  1
