# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16747800
_cell_length_b   8.41197500
_cell_length_c   13.86359665
_cell_angle_alpha   63.14406008
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li4 Mn4 P8 O28'
_cell_volume   537.63565185
_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  0.00353500  0.93953800  0.18935900  1
  Li  Li1  1  0.99646500  0.93953800  0.68935900  1
  Li  Li2  1  0.46105900  0.50341700  0.58228800  1
  Li  Li3  1  0.53894100  0.50341700  0.08228800  1
  Mn  Mn4  1  0.51937800  0.23405700  0.51501800  1
  Mn  Mn5  1  0.48062200  0.23405700  0.01501800  1
  Mn  Mn6  1  0.00032600  0.76780600  0.97427500  1
  Mn  Mn7  1  0.99967400  0.76780600  0.47427500  1
  P  P8  1  0.48385700  0.80937700  0.61855200  1
  P  P9  1  0.03511800  0.19004100  0.38353000  1
  P  P10  1  0.02295900  0.32825200  0.14071700  1
  P  P11  1  0.51614300  0.80937700  0.11855200  1
  P  P12  1  0.96488200  0.19004100  0.88353000  1
  P  P13  1  0.50920200  0.67460100  0.35647700  1
  P  P14  1  0.49079800  0.67460100  0.85647700  1
  P  P15  1  0.97704100  0.32825200  0.64071700  1
  O  O16  1  0.69243200  0.79953300  0.86518900  1
  O  O17  1  0.92018300  0.51846400  0.06801500  1
  O  O18  1  0.36862000  0.72437900  0.05836900  1
  O  O19  1  0.07981700  0.51846400  0.56801500  1
  O  O20  1  0.44399000  0.48411300  0.44176300  1
  O  O21  1  0.01012200  0.32697100  0.25666200  1
  O  O22  1  0.06620800  0.01239800  0.89102000  1
  O  O23  1  0.32135600  0.17989500  0.41460600  1
  O  O24  1  0.86543600  0.27041700  0.43768700  1
  O  O25  1  0.39333300  0.98295700  0.10976200  1
  O  O26  1  0.30756800  0.79953300  0.36518900  1
  O  O27  1  0.80821400  0.82521600  0.09593800  1
  O  O28  1  0.19178600  0.82521600  0.59593800  1
  O  O29  1  0.31137300  0.30305100  0.12339400  1
  O  O30  1  0.20880700  0.72861600  0.85644100  1
  O  O31  1  0.93379200  0.01239800  0.39102000  1
  O  O32  1  0.68862700  0.30305100  0.62339400  1
  O  O33  1  0.79119300  0.72861600  0.35644100  1
  O  O34  1  0.60666700  0.98295700  0.60976200  1
  O  O35  1  0.46857600  0.66619800  0.24306800  1
  O  O36  1  0.98987800  0.32697100  0.75666200  1
  O  O37  1  0.55601000  0.48411300  0.94176300  1
  O  O38  1  0.63138000  0.72437900  0.55836900  1
  O  O39  1  0.13456400  0.27041700  0.93768700  1
  O  O40  1  0.15182100  0.18707900  0.63655600  1
  O  O41  1  0.53142400  0.66619800  0.74306800  1
  O  O42  1  0.67864400  0.17989500  0.91460600  1
  O  O43  1  0.84817900  0.18707900  0.13655600  1
