# generated using pymatgen
data_Li6Cr5(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17391700
_cell_length_b   10.81002190
_cell_length_c   12.90252229
_cell_angle_alpha   89.82521380
_cell_angle_beta   106.40662449
_cell_angle_gamma   111.46751410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Cr5(P2O7)4
_chemical_formula_sum   'Li12 Cr10 P16 O56'
_cell_volume   1135.05587771
_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  0.81930600  0.99513700  0.23147200  1
  Li  Li1  1  0.09751300  0.13796200  0.06780900  1
  Li  Li2  1  0.88744600  0.40209100  0.18051500  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Li  Li4  1  0.11255400  0.59790900  0.81948500  1
  Li  Li5  1  0.90248700  0.86203800  0.93219100  1
  Li  Li6  1  0.18069400  0.00486300  0.76852800  1
  Li  Li7  1  0.08002700  0.12927700  0.57260000  1
  Li  Li8  1  0.87817500  0.41671100  0.66989200  1
  Li  Li9  1  0.50000000  0.50000000  0.50000000  1
  Li  Li10  1  0.12182500  0.58328900  0.33010800  1
  Li  Li11  1  0.91997300  0.87072300  0.42740000  1
  Cr  Cr12  1  0.09771000  0.71496800  0.11003600  1
  Cr  Cr13  1  0.48460500  0.75534100  0.07029600  1
  Cr  Cr14  1  0.51539500  0.24465900  0.92970400  1
  Cr  Cr15  1  0.90229000  0.28503200  0.88996400  1
  Cr  Cr16  1  0.09678200  0.72213000  0.61348600  1
  Cr  Cr17  1  0.79784900  0.00904600  0.74251000  1
  Cr  Cr18  1  0.46933000  0.75043600  0.56670600  1
  Cr  Cr19  1  0.53067000  0.24956400  0.43329400  1
  Cr  Cr20  1  0.20215100  0.99095400  0.25749000  1
  Cr  Cr21  1  0.90321800  0.27787000  0.38651400  1
  P  P22  1  0.19591800  0.43923600  0.10350700  1
  P  P23  1  0.55507900  0.19590200  0.18154100  1
  P  P24  1  0.80919300  0.70204100  0.21015600  1
  P  P25  1  0.28792700  0.96370600  0.03321200  1
  P  P26  1  0.71207300  0.03629400  0.96678800  1
  P  P27  1  0.19080700  0.29795900  0.78984400  1
  P  P28  1  0.44492100  0.80409800  0.81845900  1
  P  P29  1  0.80408200  0.56076400  0.89649300  1
  P  P30  1  0.18883400  0.43780900  0.59974300  1
  P  P31  1  0.55997100  0.18814100  0.68491700  1
  P  P32  1  0.79827100  0.70495000  0.70735100  1
  P  P33  1  0.27960900  0.96271800  0.53109800  1
  P  P34  1  0.72039100  0.03728200  0.46890200  1
  P  P35  1  0.20172900  0.29505000  0.29264900  1
  P  P36  1  0.44002900  0.81185900  0.31508300  1
  P  P37  1  0.81116600  0.56219100  0.40025700  1
  O  O38  1  0.11630500  0.14865600  0.23570100  1
  O  O39  1  0.29065100  0.38902500  0.21252500  1
  O  O40  1  0.52945000  0.80181800  0.23555300  1
  O  O41  1  0.09491300  0.50876900  0.13786200  1
  O  O42  1  0.73659400  0.21648500  0.23126700  1
  O  O43  1  0.15700800  0.97606700  0.08471800  1
  O  O44  1  0.46702900  0.04264300  0.11873200  1
  O  O45  1  0.93314600  0.64290800  0.19634700  1
  O  O46  1  0.08128300  0.30533500  0.03227700  1
  O  O47  1  0.32517300  0.52834500  0.05616500  1
  O  O48  1  0.27713300  0.81670800  0.03185600  1
  O  O49  1  0.67372000  0.68556800  0.10450700  1
  O  O50  1  0.53488300  0.28789900  0.09359000  1
  O  O51  1  0.72880900  0.98013900  0.07411900  1
  O  O52  1  0.27119100  0.01986100  0.92588100  1
  O  O53  1  0.46511700  0.71210100  0.90641000  1
  O  O54  1  0.32628000  0.31443200  0.89549300  1
  O  O55  1  0.72286700  0.18329200  0.96814400  1
  O  O56  1  0.67482700  0.47165500  0.94383500  1
  O  O57  1  0.91871700  0.69466500  0.96772300  1
  O  O58  1  0.06685400  0.35709200  0.80365300  1
  O  O59  1  0.53297100  0.95735700  0.88126800  1
  O  O60  1  0.84299200  0.02393300  0.91528200  1
  O  O61  1  0.26340600  0.78351500  0.76873300  1
  O  O62  1  0.10202300  0.15348500  0.73230000  1
  O  O63  1  0.90508700  0.49123100  0.86213800  1
  O  O64  1  0.47055000  0.19818200  0.76444700  1
  O  O65  1  0.28353900  0.39362100  0.71155300  1
  O  O66  1  0.70934900  0.61097500  0.78747500  1
  O  O67  1  0.53339500  0.80767200  0.73376500  1
  O  O68  1  0.08381900  0.50694300  0.62894500  1
  O  O69  1  0.88369500  0.85134400  0.76429900  1
  O  O70  1  0.72989900  0.17854200  0.74055700  1
  O  O71  1  0.14654700  0.97402300  0.57604600  1
  O  O72  1  0.45859500  0.04197000  0.61542000  1
  O  O73  1  0.92643200  0.65019100  0.69625100  1
  O  O74  1  0.08110900  0.30208900  0.52982100  1
  O  O75  1  0.32026400  0.52664700  0.55314700  1
  O  O76  1  0.27150900  0.81657700  0.53021200  1
  O  O77  1  0.66328100  0.68591000  0.60091900  1
  O  O78  1  0.57956400  0.29318300  0.60493100  1
  O  O79  1  0.72308200  0.97932000  0.57625300  1
  O  O80  1  0.27691800  0.02068000  0.42374700  1
  O  O81  1  0.42043600  0.70681700  0.39506900  1
  O  O82  1  0.33671900  0.31409000  0.39908100  1
  O  O83  1  0.72849100  0.18342300  0.46978800  1
  O  O84  1  0.67973600  0.47335300  0.44685300  1
  O  O85  1  0.91889100  0.69791100  0.47017900  1
  O  O86  1  0.07356800  0.34980900  0.30374900  1
  O  O87  1  0.54140500  0.95803000  0.38458000  1
  O  O88  1  0.85345300  0.02597700  0.42395400  1
  O  O89  1  0.27010100  0.82145800  0.25944300  1
  O  O90  1  0.91618100  0.49305700  0.37105500  1
  O  O91  1  0.46660500  0.19232800  0.26623500  1
  O  O92  1  0.71646100  0.60637900  0.28844700  1
  O  O93  1  0.89797700  0.84651500  0.26770000  1
