# generated using pymatgen
data_Li3Mn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84453300
_cell_length_b   9.83156200
_cell_length_c   11.37968344
_cell_angle_alpha   76.78841345
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2(P2O7)2
_chemical_formula_sum   'Li12 Mn8 P16 O56'
_cell_volume   1072.25571155
_cell_formula_units_Z   4
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  0.68857400  0.15772400  0.46655400  1
  Li  Li1  1  0.35597400  0.08763700  0.97359800  1
  Li  Li2  1  0.65786000  0.14996900  0.95876100  1
  Li  Li3  1  0.85948800  0.41155900  0.02989100  1
  Li  Li4  1  0.16133900  0.32817100  0.54751300  1
  Li  Li5  1  0.47196000  0.38643000  0.44826300  1
  Li  Li6  1  0.31142600  0.65772400  0.46655400  1
  Li  Li7  1  0.64402600  0.58763700  0.97359800  1
  Li  Li8  1  0.34214000  0.64996900  0.95876100  1
  Li  Li9  1  0.14051200  0.91155900  0.02989100  1
  Li  Li10  1  0.83866100  0.82817100  0.54751300  1
  Li  Li11  1  0.52804000  0.88643000  0.44826300  1
  Mn  Mn12  1  0.16852300  0.20527900  0.32281600  1
  Mn  Mn13  1  0.46264800  0.25401700  0.17701100  1
  Mn  Mn14  1  0.96688000  0.23899800  0.82668400  1
  Mn  Mn15  1  0.67737500  0.29803900  0.67307300  1
  Mn  Mn16  1  0.83147700  0.70527900  0.32281600  1
  Mn  Mn17  1  0.53735200  0.75401700  0.17701100  1
  Mn  Mn18  1  0.03312000  0.73899800  0.82668400  1
  Mn  Mn19  1  0.32262500  0.79803900  0.67307300  1
  P  P20  1  0.70331300  0.02216000  0.24309100  1
  P  P21  1  0.96043800  0.11818000  0.11148800  1
  P  P22  1  0.18126700  0.06074400  0.75907600  1
  P  P23  1  0.39929700  0.12371400  0.57324900  1
  P  P24  1  0.89875600  0.38146500  0.41978400  1
  P  P25  1  0.68096000  0.43725300  0.24269900  1
  P  P26  1  0.29668700  0.52216000  0.24309100  1
  P  P27  1  0.45801200  0.38113600  0.89143700  1
  P  P28  1  0.03956200  0.61818000  0.11148800  1
  P  P29  1  0.19888400  0.47365300  0.75410300  1
  P  P30  1  0.81873300  0.56074400  0.75907600  1
  P  P31  1  0.60070300  0.62371400  0.57324900  1
  P  P32  1  0.10124400  0.88146500  0.41978400  1
  P  P33  1  0.31904000  0.93725300  0.24269900  1
  P  P34  1  0.54198800  0.88113600  0.89143700  1
  P  P35  1  0.80111600  0.97365300  0.75410300  1
  O  O36  1  0.66315700  0.02534500  0.37064300  1
  O  O37  1  0.09747100  0.03728100  0.42758000  1
  O  O38  1  0.33346800  0.08377600  0.27079300  1
  O  O39  1  0.60792300  0.10258100  0.14487400  1
  O  O40  1  0.84739400  0.09707600  0.21986600  1
  O  O41  1  0.07704300  0.18520900  0.16595000  1
  O  O42  1  0.89274200  0.22453000  0.00028700  1
  O  O43  1  0.52307500  0.02225900  0.92019800  1
  O  O44  1  0.32749600  0.11661800  0.70294400  1
  O  O45  1  0.18845100  0.05945200  0.89157300  1
  O  O46  1  0.79681800  0.12171100  0.78890000  1
  O  O47  1  0.53944800  0.18868100  0.58127500  1
  O  O48  1  0.07544800  0.17337100  0.69819800  1
  O  O49  1  0.31159200  0.22434600  0.48011100  1
  O  O50  1  0.81217700  0.29044700  0.51753800  1
  O  O51  1  0.57317100  0.33496300  0.31089000  1
  O  O52  1  0.04293000  0.32652000  0.41036900  1
  O  O53  1  0.28266100  0.36714800  0.22786700  1
  O  O54  1  0.82769500  0.37691500  0.29256200  1
  O  O55  1  0.68295300  0.43486300  0.11031600  1
  O  O56  1  0.01725500  0.48163000  0.07928600  1
  O  O57  1  0.40069700  0.27178700  0.99912500  1
  O  O58  1  0.58217600  0.32054100  0.83939800  1
  O  O59  1  0.34582100  0.40267100  0.78377000  1
  O  O60  1  0.84262800  0.41692800  0.72924500  1
  O  O61  1  0.09714700  0.38502400  0.84358100  1
  O  O62  1  0.33684300  0.52534500  0.37064300  1
  O  O63  1  0.59005900  0.47487700  0.55584900  1
  O  O64  1  0.90252900  0.53728100  0.42758000  1
  O  O65  1  0.17885800  0.48252600  0.62225400  1
  O  O66  1  0.39207700  0.60258100  0.14487400  1
  O  O67  1  0.66653200  0.58377600  0.27079300  1
  O  O68  1  0.15260600  0.59707600  0.21986600  1
  O  O69  1  0.92295700  0.68520900  0.16595000  1
  O  O70  1  0.10725800  0.72453000  0.00028700  1
  O  O71  1  0.47692500  0.52225900  0.92019800  1
  O  O72  1  0.81154900  0.55945200  0.89157300  1
  O  O73  1  0.67250400  0.61661800  0.70294400  1
  O  O74  1  0.20318200  0.62171100  0.78890000  1
  O  O75  1  0.46055200  0.68868100  0.58127500  1
  O  O76  1  0.92455200  0.67337100  0.69819800  1
  O  O77  1  0.68840800  0.72434600  0.48011100  1
  O  O78  1  0.18782300  0.79044700  0.51753800  1
  O  O79  1  0.42682900  0.83496300  0.31089000  1
  O  O80  1  0.95707000  0.82652000  0.41036900  1
  O  O81  1  0.71733900  0.86714800  0.22786700  1
  O  O82  1  0.31704700  0.93486300  0.11031600  1
  O  O83  1  0.17230500  0.87691500  0.29256200  1
  O  O84  1  0.98274500  0.98163000  0.07928600  1
  O  O85  1  0.59930300  0.77178700  0.99912500  1
  O  O86  1  0.41782400  0.82054100  0.83939800  1
  O  O87  1  0.65417900  0.90267100  0.78377000  1
  O  O88  1  0.90285300  0.88502400  0.84358100  1
  O  O89  1  0.15737200  0.91692800  0.72924500  1
  O  O90  1  0.40994100  0.97487700  0.55584900  1
  O  O91  1  0.82114200  0.98252600  0.62225400  1
