# generated using pymatgen
data_Li2CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86951400
_cell_length_b   9.91448727
_cell_length_c   11.41667373
_cell_angle_alpha   102.24969430
_cell_angle_beta   90.03707244
_cell_angle_gamma   90.11295054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrP2O7
_chemical_formula_sum   'Li16 Cr8 P16 O56'
_cell_volume   1091.69746148
_cell_formula_units_Z   8
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  0.27999300  0.11001600  0.44566500  1
  Li  Li1  1  0.57609300  0.17038600  0.54656800  1
  Li  Li2  1  0.89233500  0.08499200  0.02615200  1
  Li  Li3  1  0.08804100  0.34121900  0.95842300  1
  Li  Li4  1  0.58927800  0.15764800  0.04176700  1
  Li  Li5  1  0.39142000  0.41573400  0.97297500  1
  Li  Li6  1  0.07688700  0.32949400  0.45353800  1
  Li  Li7  1  0.77899600  0.38985400  0.55365700  1
  Li  Li8  1  0.22100400  0.61014600  0.44634300  1
  Li  Li9  1  0.92311300  0.67050600  0.54646200  1
  Li  Li10  1  0.60858000  0.58426600  0.02702500  1
  Li  Li11  1  0.41072200  0.84235200  0.95823300  1
  Li  Li12  1  0.91195900  0.65878100  0.04157700  1
  Li  Li13  1  0.10766500  0.91500800  0.97384800  1
  Li  Li14  1  0.42390700  0.82961400  0.45343200  1
  Li  Li15  1  0.72000700  0.88998400  0.55433500  1
  Cr  Cr16  1  0.07459000  0.20064000  0.67223600  1
  Cr  Cr17  1  0.78438500  0.26852000  0.82728900  1
  Cr  Cr18  1  0.28489100  0.23110500  0.17253300  1
  Cr  Cr19  1  0.57479600  0.29938600  0.32743000  1
  Cr  Cr20  1  0.42520400  0.70061400  0.67257000  1
  Cr  Cr21  1  0.71510900  0.76889500  0.82746700  1
  Cr  Cr22  1  0.21561500  0.73148000  0.17271100  1
  Cr  Cr23  1  0.92541000  0.79936000  0.32776400  1
  P  P24  1  0.54940500  0.02886000  0.76182300  1
  P  P25  1  0.29815000  0.11893700  0.89518100  1
  P  P26  1  0.06204600  0.05923100  0.24489300  1
  P  P27  1  0.84472200  0.12514800  0.42376000  1
  P  P28  1  0.34451900  0.37523700  0.57787900  1
  P  P29  1  0.56246000  0.44092600  0.75558500  1
  P  P30  1  0.94965600  0.52976000  0.76208300  1
  P  P31  1  0.79896700  0.38141300  0.10400000  1
  P  P32  1  0.20103300  0.61858700  0.89600000  1
  P  P33  1  0.05034400  0.47024000  0.23791700  1
  P  P34  1  0.43754000  0.55907400  0.24441500  1
  P  P35  1  0.65548100  0.62476300  0.42212100  1
  P  P36  1  0.15527800  0.87485200  0.57624000  1
  P  P37  1  0.93795400  0.94076900  0.75510700  1
  P  P38  1  0.70185000  0.88106300  0.10481900  1
  P  P39  1  0.45059500  0.97114000  0.23817700  1
  O  O40  1  0.58433600  0.02448400  0.63158300  1
  O  O41  1  0.16285700  0.02115800  0.55397200  1
  O  O42  1  0.92089600  0.08323600  0.72393600  1
  O  O43  1  0.64125500  0.12122300  0.85444500  1
  O  O44  1  0.39967000  0.09444500  0.77927200  1
  O  O45  1  0.17229400  0.18250000  0.85264400  1
  O  O46  1  0.37206800  0.22257000  0.99841700  1
  O  O47  1  0.72005300  0.01968300  0.07135400  1
  O  O48  1  0.91416600  0.11766800  0.29377300  1
  O  O49  1  0.06034600  0.05959500  0.11281400  1
  O  O50  1  0.45881200  0.11952400  0.21092000  1
  O  O51  1  0.70290600  0.18667700  0.41511700  1
  O  O52  1  0.16953000  0.16345600  0.31153500  1
  O  O53  1  0.92909100  0.22899000  0.51341200  1
  O  O54  1  0.42764800  0.27083900  0.48815800  1
  O  O55  1  0.66882800  0.33624400  0.68858500  1
  O  O56  1  0.20192100  0.31528500  0.58647600  1
  O  O57  1  0.95675400  0.38186700  0.78980600  1
  O  O58  1  0.41391100  0.38239900  0.70777300  1
  O  O59  1  0.56133600  0.44077500  0.88766500  1
  O  O60  1  0.21817000  0.47977200  0.92900700  1
  O  O61  1  0.87288400  0.27787800  0.00090400  1
  O  O62  1  0.67222000  0.31784000  0.14533800  1
  O  O63  1  0.90002100  0.40500100  0.22032400  1
  O  O64  1  0.42036500  0.41695700  0.27637000  1
  O  O65  1  0.14136200  0.37695300  0.14560900  1
  O  O66  1  0.91479400  0.52511600  0.63165500  1
  O  O67  1  0.66137300  0.47825100  0.44434500  1
  O  O68  1  0.33862700  0.52174900  0.55565500  1
  O  O69  1  0.08520600  0.47488400  0.36834500  1
  O  O70  1  0.85863800  0.62304700  0.85439100  1
  O  O71  1  0.57963500  0.58304300  0.72363000  1
  O  O72  1  0.09997900  0.59499900  0.77967600  1
  O  O73  1  0.32778000  0.68216000  0.85466200  1
  O  O74  1  0.12711600  0.72212200  0.99909600  1
  O  O75  1  0.78183000  0.52022800  0.07099300  1
  O  O76  1  0.43866400  0.55922500  0.11233500  1
  O  O77  1  0.58608900  0.61760100  0.29222700  1
  O  O78  1  0.04324600  0.61813300  0.21019400  1
  O  O79  1  0.79807900  0.68471500  0.41352400  1
  O  O80  1  0.33117200  0.66375600  0.31141500  1
  O  O81  1  0.57235200  0.72916100  0.51184200  1
  O  O82  1  0.07090900  0.77101000  0.48658800  1
  O  O83  1  0.83047000  0.83654400  0.68846500  1
  O  O84  1  0.29709400  0.81332300  0.58488300  1
  O  O85  1  0.54118800  0.88047600  0.78908000  1
  O  O86  1  0.93965400  0.94040500  0.88718600  1
  O  O87  1  0.08583400  0.88233200  0.70622700  1
  O  O88  1  0.27994700  0.98031700  0.92864600  1
  O  O89  1  0.62793200  0.77743000  0.00158300  1
  O  O90  1  0.82770600  0.81750000  0.14735600  1
  O  O91  1  0.60033000  0.90555500  0.22072800  1
  O  O92  1  0.35874500  0.87877700  0.14555500  1
  O  O93  1  0.07910400  0.91676400  0.27606400  1
  O  O94  1  0.83714300  0.97884200  0.44602800  1
  O  O95  1  0.41566400  0.97551600  0.36841700  1
