# generated using pymatgen
data_Li3Mn4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70169120
_cell_length_b   9.76608361
_cell_length_c   11.27468993
_cell_angle_alpha   89.72667865
_cell_angle_beta   102.80551775
_cell_angle_gamma   90.01021059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn4(P2O7)4
_chemical_formula_sum   'Li6 Mn8 P16 O56'
_cell_volume   1041.66724357
_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  0.14290000  0.44192700  0.52184100  1
  Li  Li1  1  0.41402600  0.59560100  0.97792000  1
  Li  Li2  1  0.39292100  0.95576000  0.50157500  1
  Li  Li3  1  0.91416800  0.90567700  0.97822300  1
  Li  Li4  1  0.82891800  0.59129400  0.45428500  1
  Li  Li5  1  0.87354400  0.27775000  0.54609100  1
  Mn  Mn6  1  0.19881400  0.92994200  0.67144800  1
  Mn  Mn7  1  0.26242300  0.21963900  0.82971200  1
  Mn  Mn8  1  0.22164800  0.73298500  0.16146300  1
  Mn  Mn9  1  0.30075300  0.43179100  0.32607100  1
  Mn  Mn10  1  0.70011100  0.57209500  0.67342200  1
  Mn  Mn11  1  0.75775300  0.28158200  0.82907300  1
  Mn  Mn12  1  0.72758700  0.77035500  0.16536800  1
  Mn  Mn13  1  0.79625500  0.06165400  0.33049900  1
  P  P14  1  0.02148300  0.44493100  0.75859400  1
  P  P15  1  0.11649900  0.71807400  0.87915900  1
  P  P16  1  0.06914900  0.92181100  0.24642200  1
  P  P17  1  0.12289300  0.14492500  0.42660900  1
  P  P18  1  0.37918000  0.64663100  0.57517300  1
  P  P19  1  0.42776600  0.42579400  0.75877400  1
  P  P20  1  0.51910600  0.05397500  0.74923100  1
  P  P21  1  0.38310200  0.21313500  0.11685400  1
  P  P22  1  0.61596600  0.78472800  0.88291100  1
  P  P23  1  0.47704800  0.94518000  0.24671700  1
  P  P24  1  0.57022900  0.58018500  0.24340800  1
  P  P25  1  0.62227300  0.35159000  0.41394100  1
  P  P26  1  0.87551500  0.85592300  0.57385500  1
  P  P27  1  0.92569000  0.07599000  0.75838400  1
  P  P28  1  0.88091900  0.28076400  0.11981400  1
  P  P29  1  0.98300000  0.54648400  0.25354200  1
  O  O30  1  0.01521900  0.41463900  0.62630900  1
  O  O31  1  0.03406100  0.84735000  0.57372000  1
  O  O32  1  0.07470300  0.08978600  0.73388100  1
  O  O33  1  0.10578200  0.34280900  0.85037800  1
  O  O34  1  0.09654600  0.58977800  0.78512700  1
  O  O35  1  0.19406100  0.82410200  0.81663200  1
  O  O36  1  0.22145300  0.66411100  0.99746900  1
  O  O37  1  0.02402900  0.23480000  0.09978000  1
  O  O38  1  0.12877700  0.06806500  0.30012800  1
  O  O39  1  0.07993100  0.90936200  0.11355900  1
  O  O40  1  0.13624600  0.53826000  0.22536800  1
  O  O41  1  0.17937300  0.28815700  0.41456400  1
  O  O42  1  0.17677200  0.81034300  0.30910300  1
  O  O43  1  0.21113800  0.05540900  0.52787400  1
  O  O44  1  0.29266700  0.55692300  0.47373500  1
  O  O45  1  0.32056700  0.31376000  0.69498200  1
  O  O46  1  0.32686000  0.79103100  0.58575400  1
  O  O47  1  0.36554700  0.04607500  0.77999400  1
  O  O48  1  0.36457600  0.56962200  0.69960600  1
  O  O49  1  0.41818600  0.42471200  0.89049900  1
  O  O50  1  0.47545600  0.74869400  0.90485000  1
  O  O51  1  0.29181700  0.15544000  0.99778600  1
  O  O52  1  0.31281300  0.33015400  0.17107700  1
  O  O53  1  0.40275100  0.09369500  0.21589100  1
  O  O54  1  0.42172000  0.59120300  0.26644900  1
  O  O55  1  0.39376900  0.84579000  0.15303500  1
  O  O56  1  0.51397300  0.06881400  0.61739500  1
  O  O57  1  0.46577600  0.34350800  0.41889900  1
  O  O58  1  0.53758200  0.64857400  0.57085400  1
  O  O59  1  0.47818600  0.91806000  0.37619400  1
  O  O60  1  0.60054700  0.16173500  0.83768700  1
  O  O61  1  0.57581800  0.41291100  0.73091400  1
  O  O62  1  0.60031900  0.91292000  0.79175900  1
  O  O63  1  0.69047400  0.67572800  0.82158200  1
  O  O64  1  0.72436900  0.83468300  0.00133800  1
  O  O65  1  0.52680200  0.25188500  0.09200600  1
  O  O66  1  0.58177100  0.60260100  0.11200700  1
  O  O67  1  0.63017500  0.43107200  0.28769200  1
  O  O68  1  0.63082300  0.95424900  0.21937700  1
  O  O69  1  0.68819100  0.21351100  0.40588500  1
  O  O70  1  0.68352700  0.68358900  0.31314400  1
  O  O71  1  0.71577600  0.43725800  0.51667200  1
  O  O72  1  0.79062400  0.93263300  0.46285000  1
  O  O73  1  0.82818300  0.19640700  0.69491900  1
  O  O74  1  0.82026000  0.71198000  0.58795100  1
  O  O75  1  0.86578400  0.45630500  0.78265300  1
  O  O76  1  0.90933600  0.07372100  0.88792000  1
  O  O77  1  0.85836000  0.93789300  0.69321400  1
  O  O78  1  0.97631600  0.75650000  0.90080200  1
  O  O79  1  0.78776300  0.33549800  0.00018200  1
  O  O80  1  0.80816700  0.16891300  0.18036000  1
  O  O81  1  0.90165300  0.40482100  0.21357900  1
  O  O82  1  0.90395200  0.65638100  0.16868200  1
  O  O83  1  0.91925100  0.91023200  0.26657700  1
  O  O84  1  0.96557000  0.15404200  0.43467700  1
  O  O85  1  0.98764900  0.55561000  0.38754100  1
