# generated using pymatgen
data_Li5Mn4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79493500
_cell_length_b   9.85000534
_cell_length_c   11.23165675
_cell_angle_alpha   102.66333604
_cell_angle_beta   90.15184986
_cell_angle_gamma   90.66344724
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Mn4(P2O7)4
_chemical_formula_sum   'Li10 Mn8 P16 O56'
_cell_volume   1057.18690991
_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  0.56451600  0.15800800  0.53111700  1
  Li  Li1  1  0.89175900  0.08490000  0.01888200  1
  Li  Li2  1  0.38983500  0.40951900  0.97456100  1
  Li  Li3  1  0.03885700  0.40482000  0.50490100  1
  Li  Li4  1  0.60536600  0.58612300  0.03279000  1
  Li  Li5  1  0.40568900  0.85661200  0.95471200  1
  Li  Li6  1  0.91236400  0.64007000  0.04672900  1
  Li  Li7  1  0.10377600  0.90975400  0.96778900  1
  Li  Li8  1  0.40689900  0.82272700  0.44815000  1
  Li  Li9  1  0.71889200  0.88261700  0.54810200  1
  Mn  Mn10  1  0.07734000  0.19915600  0.67025300  1
  Mn  Mn11  1  0.79002500  0.25215800  0.82089700  1
  Mn  Mn12  1  0.29148200  0.24371900  0.17986600  1
  Mn  Mn13  1  0.57989900  0.30825800  0.33078200  1
  Mn  Mn14  1  0.42351400  0.70355900  0.67183300  1
  Mn  Mn15  1  0.71855000  0.74774400  0.82742500  1
  Mn  Mn16  1  0.21712300  0.73733900  0.17191300  1
  Mn  Mn17  1  0.93128300  0.80543300  0.33392100  1
  P  P18  1  0.54979200  0.02462000  0.75537800  1
  P  P19  1  0.29017500  0.12133800  0.88506600  1
  P  P20  1  0.06737500  0.06068700  0.24014800  1
  P  P21  1  0.85477100  0.12879400  0.43471600  1
  P  P22  1  0.35390600  0.38164200  0.57187100  1
  P  P23  1  0.56987100  0.43527100  0.75954400  1
  P  P24  1  0.95113100  0.51528500  0.75352100  1
  P  P25  1  0.79168400  0.37624700  0.11441300  1
  P  P26  1  0.20830700  0.61489900  0.88850200  1
  P  P27  1  0.05977800  0.46680500  0.24080200  1
  P  P28  1  0.42755500  0.56709400  0.24105400  1
  P  P29  1  0.65413800  0.62832100  0.41633500  1
  P  P30  1  0.14389300  0.87840600  0.57143800  1
  P  P31  1  0.92263300  0.93203400  0.75319600  1
  P  P32  1  0.71119900  0.88276400  0.12235800  1
  P  P33  1  0.44830700  0.98182100  0.24831100  1
  O  O34  1  0.57870300  0.01731200  0.62221800  1
  O  O35  1  0.15213000  0.03405800  0.56845500  1
  O  O36  1  0.91408800  0.08200000  0.73251600  1
  O  O37  1  0.65765500  0.10624100  0.84428500  1
  O  O38  1  0.41042500  0.10768300  0.78383700  1
  O  O39  1  0.17260800  0.18116300  0.82343900  1
  O  O40  1  0.34543000  0.22519000  0.00025500  1
  O  O41  1  0.74746700  0.01740800  0.09168200  1
  O  O42  1  0.92951600  0.12337400  0.30472300  1
  O  O43  1  0.05466200  0.05464300  0.10554800  1
  O  O44  1  0.45871500  0.13464200  0.22240400  1
  O  O45  1  0.71466800  0.18898600  0.42050300  1
  O  O46  1  0.18653200  0.15846400  0.29491000  1
  O  O47  1  0.94736000  0.22095100  0.53143700  1
  O  O48  1  0.44603600  0.29434100  0.47248300  1
  O  O49  1  0.68005000  0.32894600  0.70088300  1
  O  O50  1  0.21060200  0.32446100  0.58074300  1
  O  O51  1  0.96315000  0.36042000  0.77859400  1
  O  O52  1  0.42689400  0.37144000  0.69953600  1
  O  O53  1  0.56071600  0.43876300  0.89424800  1
  O  O54  1  0.23431300  0.47927000  0.92085800  1
  O  O55  1  0.83991500  0.26914900  0.99942100  1
  O  O56  1  0.67201100  0.31675500  0.17643900  1
  O  O57  1  0.91304700  0.39009400  0.21309800  1
  O  O58  1  0.41263100  0.42039900  0.26738700  1
  O  O59  1  0.15936000  0.37468900  0.14958000  1
  O  O60  1  0.91929400  0.51566000  0.62433400  1
  O  O61  1  0.66418500  0.47743900  0.42897900  1
  O  O62  1  0.35007400  0.53684400  0.56657700  1
  O  O63  1  0.09066300  0.47473600  0.37124700  1
  O  O64  1  0.85920400  0.59512500  0.85571100  1
  O  O65  1  0.58624200  0.58065900  0.72856300  1
  O  O66  1  0.09996700  0.58878500  0.77761000  1
  O  O67  1  0.32947400  0.68887300  0.84023700  1
  O  O68  1  0.14033000  0.72219400  0.99650700  1
  O  O69  1  0.76963100  0.51675800  0.08579300  1
  O  O70  1  0.42587000  0.57000100  0.10680700  1
  O  O71  1  0.57723200  0.62491500  0.28798000  1
  O  O72  1  0.04739700  0.60947000  0.20115400  1
  O  O73  1  0.79260800  0.69706200  0.40530100  1
  O  O74  1  0.32534800  0.67376300  0.30875500  1
  O  O75  1  0.56762700  0.72311700  0.51473700  1
  O  O76  1  0.06725300  0.79109900  0.46061800  1
  O  O77  1  0.80460400  0.84011200  0.69093300  1
  O  O78  1  0.28622500  0.82173900  0.58657000  1
  O  O79  1  0.52733400  0.87591800  0.78470400  1
  O  O80  1  0.93218200  0.92402200  0.88620700  1
  O  O81  1  0.06343000  0.86689800  0.69337200  1
  O  O82  1  0.26695600  0.97956200  0.91217100  1
  O  O83  1  0.64722500  0.77534600  0.01256400  1
  O  O84  1  0.82697200  0.80684900  0.17881600  1
  O  O85  1  0.59756400  0.91305100  0.22891000  1
  O  O86  1  0.35592500  0.89452000  0.14729000  1
  O  O87  1  0.08134500  0.91198100  0.26871900  1
  O  O88  1  0.84225600  0.97855400  0.45009400  1
  O  O89  1  0.41596500  0.98102700  0.37807500  1
