# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23816172
_cell_length_b   9.25847130
_cell_length_c   10.45911902
_cell_angle_alpha   113.02834370
_cell_angle_beta   86.90367111
_cell_angle_gamma   108.40171627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li4 Mn4 P8 O28'
_cell_volume   525.83828327
_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  0.02649616  0.20261289  0.49727370  1
  Li  Li1  1  0.37672084  0.93642794  0.40658269  1
  Li  Li2  1  0.53145703  0.49695731  0.98082808  1
  Li  Li3  1  0.92742634  0.86112086  0.52696980  1
  Mn  Mn4  1  0.27157615  0.90062165  0.77991346  1
  Mn  Mn5  1  0.36336421  0.51061077  0.74380100  1
  Mn  Mn6  1  0.63304413  0.47813838  0.24516231  1
  Mn  Mn7  1  0.73539741  0.08883006  0.21559718  1
  P  P8  1  0.88000778  0.55434472  0.69141307  1
  P  P9  1  0.69683463  0.19246413  0.95029190  1
  P  P10  1  0.93489463  0.79992469  0.21560730  1
  P  P11  1  0.56514324  0.29565638  0.45238177  1
  P  P12  1  0.11646580  0.43382738  0.29986193  1
  P  P13  1  0.31203709  0.79453773  0.04270871  1
  P  P14  1  0.08085605  0.18537934  0.77897642  1
  P  P15  1  0.42489331  0.69987976  0.53823737  1
  O  O16  1  0.97772557  0.10369028  0.63125479  1
  O  O17  1  0.91989972  0.26911174  0.88635653  1
  O  O18  1  0.94759274  0.50253123  0.26659854  1
  O  O19  1  0.99050184  0.72903651  0.69892237  1
  O  O20  1  0.05569128  0.86512102  0.35748647  1
  O  O21  1  0.08341648  0.71318335  0.09956866  1
  O  O22  1  0.04405340  0.47200887  0.71100363  1
  O  O23  1  0.00794405  0.26274676  0.30398897  1
  O  O24  1  0.25764358  0.87708424  0.95670625  1
  O  O25  1  0.35925200  0.85065405  0.55715136  1
  O  O26  1  0.21460178  0.54059059  0.45775042  1
  O  O27  1  0.45583179  0.92164106  0.17914367  1
  O  O28  1  0.31606756  0.45053019  0.21244883  1
  O  O29  1  0.12215086  0.06439233  0.82978024  1
  O  O30  1  0.43266482  0.69489882  0.68481469  1
  O  O31  1  0.40495953  0.65666486  0.96303058  1
  O  O32  1  0.29769646  0.33405016  0.80441822  1
  O  O33  1  0.35945385  0.31205186  0.52994808  1
  O  O34  1  0.63266089  0.68370785  0.46259382  1
  O  O35  1  0.70889615  0.65925339  0.18904618  1
  O  O36  1  0.55493481  0.29858864  0.30651175  1
  O  O37  1  0.60483699  0.33269499  0.02474322  1
  O  O38  1  0.90163770  0.93476374  0.18110392  1
  O  O39  1  0.68248956  0.53563167  0.78065533  1
  O  O40  1  0.55340870  0.05616846  0.81933507  1
  O  O41  1  0.63039940  0.14210978  0.42984593  1
  O  O42  1  0.77609742  0.45307241  0.53355103  1
  O  O43  1  0.75791327  0.12112521  0.04509276  1
