# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71883200
_cell_length_b   9.95398218
_cell_length_c   11.11280975
_cell_angle_alpha   99.30150163
_cell_angle_beta   90.32556160
_cell_angle_gamma   90.16480791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1060.90473588
_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  0.89023300  0.08728000  0.01899600  1
  Li  Li1  1  0.40878700  0.41804300  0.98078200  1
  Li  Li2  1  0.80412400  0.39732900  0.54406400  1
  Li  Li3  1  0.19584600  0.60365400  0.45966300  1
  Li  Li4  1  0.86699700  0.64978700  0.04845100  1
  Li  Li5  1  0.11544800  0.91152900  0.98049500  1
  Li  Li6  1  0.44296500  0.89810700  0.50522600  1
  Li  Li7  1  0.72147000  0.89333200  0.55144800  1
  Mn  Mn8  1  0.08360500  0.19011500  0.65561400  1
  Mn  Mn9  1  0.77200700  0.28976900  0.84042000  1
  Mn  Mn10  1  0.28105000  0.21163300  0.15804100  1
  Mn  Mn11  1  0.57326000  0.30807600  0.33937300  1
  Mn  Mn12  1  0.42285100  0.68994300  0.66690500  1
  Mn  Mn13  1  0.71640300  0.77825200  0.83637300  1
  Mn  Mn14  1  0.22581800  0.70727900  0.15974700  1
  Mn  Mn15  1  0.92373500  0.81028400  0.33970400  1
  P  P16  1  0.56225800  0.02572600  0.75548400  1
  P  P17  1  0.29256300  0.12438100  0.87750000  1
  P  P18  1  0.06766000  0.06006900  0.24427700  1
  P  P19  1  0.85107200  0.13421400  0.43205100  1
  P  P20  1  0.34868900  0.36894600  0.56511500  1
  P  P21  1  0.56964400  0.43354500  0.75357800  1
  P  P22  1  0.93577800  0.54081200  0.76663300  1
  P  P23  1  0.78779500  0.37702800  0.12202400  1
  P  P24  1  0.21531100  0.61821000  0.87656700  1
  P  P25  1  0.06545700  0.45669100  0.23668900  1
  P  P26  1  0.42851100  0.56107800  0.24636500  1
  P  P27  1  0.64754800  0.63271300  0.43062600  1
  P  P28  1  0.14577200  0.86964700  0.56640500  1
  P  P29  1  0.93700300  0.94063200  0.75644300  1
  P  P30  1  0.71002500  0.88198000  0.12100000  1
  P  P31  1  0.43345300  0.96086600  0.23533900  1
  O  O32  1  0.57210300  0.00530800  0.61841900  1
  O  O33  1  0.15683200  0.01566400  0.54859200  1
  O  O34  1  0.93608400  0.08610000  0.72454900  1
  O  O35  1  0.67355400  0.11283200  0.82940700  1
  O  O36  1  0.42006400  0.10240000  0.78438000  1
  O  O37  1  0.18558100  0.19479100  0.80573800  1
  O  O38  1  0.34300000  0.22784300  0.99099500  1
  O  O39  1  0.74896600  0.02024800  0.10034100  1
  O  O40  1  0.93331000  0.13151700  0.30635600  1
  O  O41  1  0.06022900  0.06325000  0.10856200  1
  O  O42  1  0.44154200  0.10356400  0.19264500  1
  O  O43  1  0.71568400  0.20605500  0.41425300  1
  O  O44  1  0.19190300  0.14847700  0.29598700  1
  O  O45  1  0.93320800  0.22300100  0.53471400  1
  O  O46  1  0.43363500  0.28541100  0.46407900  1
  O  O47  1  0.69361300  0.35055300  0.69143900  1
  O  O48  1  0.20912400  0.30874600  0.58725800  1
  O  O49  1  0.93633800  0.39939900  0.81135400  1
  O  O50  1  0.43297100  0.36783900  0.69213800  1
  O  O51  1  0.57630600  0.40919300  0.88449900  1
  O  O52  1  0.26105700  0.48396700  0.90129400  1
  O  O53  1  0.83004100  0.27194200  0.00637200  1
  O  O54  1  0.67348800  0.31323700  0.19019400  1
  O  O55  1  0.91656800  0.38561000  0.21467100  1
  O  O56  1  0.42665900  0.41287000  0.27236900  1
  O  O57  1  0.16424400  0.36677100  0.14973900  1
  O  O58  1  0.89704600  0.54242800  0.63759300  1
  O  O59  1  0.66460300  0.48608900  0.44883500  1
  O  O60  1  0.33622000  0.52056900  0.55500400  1
  O  O61  1  0.09123800  0.46776200  0.36978900  1
  O  O62  1  0.85112600  0.64012400  0.86273700  1
  O  O63  1  0.57343900  0.58622300  0.73690900  1
  O  O64  1  0.08994300  0.59897600  0.78055800  1
  O  O65  1  0.31950100  0.70226900  0.81311800  1
  O  O66  1  0.15822900  0.71554400  0.99177400  1
  O  O67  1  0.76051700  0.51372700  0.09050000  1
  O  O68  1  0.41470700  0.57242400  0.11323400  1
  O  O69  1  0.56901200  0.62993200  0.30178400  1
  O  O70  1  0.05748500  0.59948800  0.18955900  1
  O  O71  1  0.78127700  0.71045000  0.41828700  1
  O  O72  1  0.30979300  0.65199200  0.31002800  1
  O  O73  1  0.55848300  0.72086900  0.52995200  1
  O  O74  1  0.06322500  0.77564700  0.46636200  1
  O  O75  1  0.81093000  0.85403300  0.70081800  1
  O  O76  1  0.28735100  0.80217700  0.58098500  1
  O  O77  1  0.55499100  0.88220800  0.79988900  1
  O  O78  1  0.94150900  0.93359700  0.89104800  1
  O  O79  1  0.06985500  0.86392200  0.69452000  1
  O  O80  1  0.25458700  0.99021300  0.90959800  1
  O  O81  1  0.67062100  0.77891300  0.00510200  1
  O  O82  1  0.82275300  0.80424100  0.18582600  1
  O  O83  1  0.58237300  0.88962300  0.21055600  1
  O  O84  1  0.33131400  0.87123900  0.14899500  1
  O  O85  1  0.07047300  0.91206400  0.27398200  1
  O  O86  1  0.83503300  0.98526100  0.44735800  1
  O  O87  1  0.41182000  0.96497100  0.36755600  1
