# generated using pymatgen
data_Li4MnV3(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87222200
_cell_length_b   8.28664267
_cell_length_c   26.67940803
_cell_angle_alpha   90.42782308
_cell_angle_beta   91.42725006
_cell_angle_gamma   90.40951969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4MnV3(P2O7)4
_chemical_formula_sum   'Li8 Mn2 V6 P16 O56'
_cell_volume   1076.77092000
_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  0.16026300  0.63857900  0.66877500  1
  Li  Li1  1  0.16071200  0.63948700  0.16887200  1
  Li  Li2  1  0.33878400  0.13703400  0.58093900  1
  Li  Li3  1  0.33714000  0.13782300  0.08161200  1
  Li  Li4  1  0.66025400  0.63862200  0.91888700  1
  Li  Li5  1  0.66129000  0.63926600  0.41869800  1
  Li  Li6  1  0.83875600  0.13783600  0.83131500  1
  Li  Li7  1  0.83709100  0.13777100  0.33118300  1
  Mn  Mn8  1  0.14984100  0.00092000  0.18300600  1
  Mn  Mn9  1  0.64926800  0.00062000  0.43280200  1
  V  V10  1  0.14832700  0.00015500  0.68205500  1
  V  V11  1  0.35074600  0.49978100  0.56789000  1
  V  V12  1  0.35149900  0.50131800  0.06816500  1
  V  V13  1  0.64843100  0.00054800  0.93238100  1
  V  V14  1  0.85100500  0.50046700  0.81793900  1
  V  V15  1  0.85157700  0.50062000  0.31816400  1
  P  P16  1  0.13873000  0.82034800  0.86952600  1
  P  P17  1  0.17075600  0.21652300  0.97860300  1
  P  P18  1  0.14090100  0.82237700  0.36942400  1
  P  P19  1  0.16898000  0.21543200  0.47781500  1
  P  P20  1  0.33056200  0.71592300  0.77145600  1
  P  P21  1  0.36125400  0.31899900  0.88057000  1
  P  P22  1  0.33250500  0.71290100  0.27165900  1
  P  P23  1  0.36114600  0.31942400  0.37934000  1
  P  P24  1  0.63877500  0.81969100  0.61911900  1
  P  P25  1  0.67052200  0.21588100  0.72841600  1
  P  P26  1  0.64091400  0.82279800  0.11978800  1
  P  P27  1  0.66944800  0.21600200  0.22802200  1
  P  P28  1  0.83234700  0.71328600  0.52143200  1
  P  P29  1  0.86045100  0.31899500  0.63044900  1
  P  P30  1  0.83086500  0.71576200  0.02156500  1
  P  P31  1  0.86148000  0.31963200  0.12946900  1
  O  O32  1  0.00442000  0.15613400  0.62628900  1
  O  O33  1  0.05487300  0.46114800  0.62064900  1
  O  O34  1  0.09439500  0.32196700  0.84866200  1
  O  O35  1  0.00187200  0.15794400  0.12382600  1
  O  O36  1  0.05372800  0.46420100  0.12073300  1
  O  O37  1  0.14307600  0.56572600  0.77074000  1
  O  O38  1  0.09047400  0.32512700  0.34866500  1
  O  O39  1  0.12534300  0.67407500  0.53840300  1
  O  O40  1  0.21919900  0.84714500  0.81177800  1
  O  O41  1  0.14248100  0.56383400  0.27192000  1
  O  O42  1  0.18690500  0.30455100  0.52826500  1
  O  O43  1  0.12436100  0.67558300  0.03722400  1
  O  O44  1  0.28270400  0.34713000  0.93828400  1
  O  O45  1  0.22253400  0.84698800  0.31171900  1
  O  O46  1  0.19056600  0.30471300  0.02863200  1
  O  O47  1  0.31032100  0.80306600  0.72143600  1
  O  O48  1  0.35522800  0.06693700  0.97902100  1
  O  O49  1  0.28174600  0.34455000  0.43787600  1
  O  O50  1  0.37562500  0.17598800  0.71263600  1
  O  O51  1  0.31711600  0.79598700  0.22131000  1
  O  O52  1  0.40558500  0.82240900  0.90124000  1
  O  O53  1  0.35330400  0.06577000  0.47938100  1
  O  O54  1  0.36934300  0.17576500  0.21384400  1
  O  O55  1  0.40709900  0.82382800  0.40216600  1
  O  O56  1  0.44608100  0.96147400  0.62926500  1
  O  O57  1  0.50491500  0.15614400  0.87637000  1
  O  O58  1  0.49423500  0.65617400  0.62340900  1
  O  O59  1  0.44848000  0.96457600  0.12963900  1
  O  O60  1  0.55515200  0.46164900  0.87062900  1
  O  O61  1  0.50124000  0.15789100  0.37368500  1
  O  O62  1  0.49632900  0.65863600  0.12366800  1
  O  O63  1  0.55360600  0.46355300  0.37060800  1
  O  O64  1  0.59371000  0.32162700  0.59873500  1
  O  O65  1  0.62455100  0.67595400  0.78726000  1
  O  O66  1  0.64308000  0.56346000  0.52142500  1
  O  O67  1  0.59075700  0.32530600  0.09865200  1
  O  O68  1  0.68974700  0.30324600  0.77879700  1
  O  O69  1  0.62441800  0.67293500  0.28842800  1
  O  O70  1  0.72010100  0.84610500  0.56160600  1
  O  O71  1  0.64245600  0.56624900  0.02093400  1
  O  O72  1  0.68818500  0.30628200  0.27805800  1
  O  O73  1  0.81046300  0.80304900  0.97145700  1
  O  O74  1  0.78229500  0.34689400  0.68843400  1
  O  O75  1  0.72165300  0.84782500  0.06189700  1
  O  O76  1  0.87590700  0.17635600  0.96275300  1
  O  O77  1  0.81742500  0.79639400  0.47126000  1
  O  O78  1  0.85560400  0.06657600  0.72890900  1
  O  O79  1  0.78224700  0.34486700  0.18771100  1
  O  O80  1  0.86895700  0.17546800  0.46366200  1
  O  O81  1  0.90545700  0.82226200  0.65119600  1
  O  O82  1  0.85361100  0.06625200  0.22944900  1
  O  O83  1  0.94614000  0.96187000  0.87949200  1
  O  O84  1  0.99377600  0.65672900  0.87352300  1
  O  O85  1  0.90747500  0.82417000  0.15220400  1
  O  O86  1  0.94840500  0.96421200  0.37939000  1
  O  O87  1  0.99662600  0.65810200  0.37345900  1
