# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22402917
_cell_length_b   6.22402917
_cell_length_c   13.77180152
_cell_angle_alpha   75.67489512
_cell_angle_beta   75.67489512
_cell_angle_gamma   80.94351017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li4 Mn4 P8 O28'
_cell_volume   498.20349823
_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  0.39520000  0.16585400  0.86516600  1
  Li  Li1  1  0.16585400  0.39520000  0.36516600  1
  Li  Li2  1  0.83414600  0.60480000  0.63483400  1
  Li  Li3  1  0.60480000  0.83414600  0.13483400  1
  Mn  Mn4  1  0.23896600  0.25432300  0.14000000  1
  Mn  Mn5  1  0.74567700  0.76103400  0.36000000  1
  Mn  Mn6  1  0.25432300  0.23896600  0.64000000  1
  Mn  Mn7  1  0.76103400  0.74567700  0.86000000  1
  P  P8  1  0.23590700  0.88185600  0.36728100  1
  P  P9  1  0.34749000  0.75674400  0.57586900  1
  P  P10  1  0.24325600  0.65251000  0.92413100  1
  P  P11  1  0.88185600  0.23590700  0.86728100  1
  P  P12  1  0.11814400  0.76409300  0.13271900  1
  P  P13  1  0.75674400  0.34749000  0.07586900  1
  P  P14  1  0.65251000  0.24325600  0.42413100  1
  P  P15  1  0.76409300  0.11814400  0.63271900  1
  O  O16  1  0.05706200  0.72521700  0.37731200  1
  O  O17  1  0.27478300  0.94293800  0.12268800  1
  O  O18  1  0.20164300  0.56249300  0.62806400  1
  O  O19  1  0.46229800  0.76245300  0.32202900  1
  O  O20  1  0.07795000  0.69064300  0.85411000  1
  O  O21  1  0.18950200  0.11969200  0.31124200  1
  O  O22  1  0.23396800  0.89586500  0.48187100  1
  O  O23  1  0.31213200  0.40810300  0.96603400  1
  O  O24  1  0.59189700  0.68786800  0.53396600  1
  O  O25  1  0.10413500  0.76603200  0.01812900  1
  O  O26  1  0.30935700  0.92205000  0.64589000  1
  O  O27  1  0.88030800  0.81049800  0.18875800  1
  O  O28  1  0.56249300  0.20164300  0.12806400  1
  O  O29  1  0.23754700  0.53770200  0.17797100  1
  O  O30  1  0.76245300  0.46229800  0.82202900  1
  O  O31  1  0.43750700  0.79835700  0.87193600  1
  O  O32  1  0.11969200  0.18950200  0.81124200  1
  O  O33  1  0.69064300  0.07795000  0.35411000  1
  O  O34  1  0.89586500  0.23396800  0.98187100  1
  O  O35  1  0.40810300  0.31213200  0.46603400  1
  O  O36  1  0.68786800  0.59189700  0.03396600  1
  O  O37  1  0.76603200  0.10413500  0.51812900  1
  O  O38  1  0.81049800  0.88030800  0.68875800  1
  O  O39  1  0.92205000  0.30935700  0.14589000  1
  O  O40  1  0.53770200  0.23754700  0.67797100  1
  O  O41  1  0.79835700  0.43750700  0.37193600  1
  O  O42  1  0.72521700  0.05706200  0.87731200  1
  O  O43  1  0.94293800  0.27478300  0.62268800  1
