# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81243900
_cell_length_b   7.13329300
_cell_length_c   8.42105047
_cell_angle_alpha   69.21594322
_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   551.07387391
_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  0.84651700  0.60650500  0.95987100  1
  Li  Li1  1  0.65348300  0.60650500  0.45987100  1
  Li  Li2  1  0.34651700  0.39349500  0.54012900  1
  Li  Li3  1  0.15348300  0.39349500  0.04012900  1
  Mn  Mn4  1  0.39703300  0.72877300  0.74696100  1
  Mn  Mn5  1  0.10296700  0.72877300  0.24696100  1
  Mn  Mn6  1  0.89703300  0.27122700  0.75303900  1
  Mn  Mn7  1  0.60296700  0.27122700  0.25303900  1
  P  P8  1  0.14271000  0.96203000  0.79430800  1
  P  P9  1  0.35729000  0.96203000  0.29430800  1
  P  P10  1  0.09436500  0.63611500  0.68460900  1
  P  P11  1  0.40563500  0.63611500  0.18460900  1
  P  P12  1  0.59436500  0.36388500  0.81539100  1
  P  P13  1  0.90563500  0.36388500  0.31539100  1
  P  P14  1  0.64271000  0.03797000  0.70569200  1
  P  P15  1  0.85729000  0.03797000  0.20569200  1
  O  O16  1  0.29426400  0.97981400  0.73964300  1
  O  O17  1  0.11149500  0.82833900  0.97388700  1
  O  O18  1  0.58294700  0.82551400  0.75730600  1
  O  O19  1  0.06657800  0.86410200  0.66818700  1
  O  O20  1  0.20573600  0.97981400  0.23964300  1
  O  O21  1  0.38850500  0.82833900  0.47388700  1
  O  O22  1  0.39405400  0.61883100  0.01455900  1
  O  O23  1  0.91705300  0.82551400  0.25730600  1
  O  O24  1  0.43342200  0.86410200  0.16818700  1
  O  O25  1  0.22676100  0.56770500  0.79254900  1
  O  O26  1  0.10594600  0.61883100  0.51455900  1
  O  O27  1  0.47746500  0.48696500  0.70116300  1
  O  O28  1  0.97746500  0.51303500  0.79883700  1
  O  O29  1  0.27323900  0.56770500  0.29254900  1
  O  O30  1  0.72676100  0.43229500  0.70745100  1
  O  O31  1  0.02253500  0.48696500  0.20116300  1
  O  O32  1  0.52253500  0.51303500  0.29883700  1
  O  O33  1  0.89405400  0.38116900  0.48544100  1
  O  O34  1  0.77323900  0.43229500  0.20745100  1
  O  O35  1  0.56657800  0.13589800  0.83181300  1
  O  O36  1  0.08294700  0.17448600  0.74269400  1
  O  O37  1  0.60594600  0.38116900  0.98544100  1
  O  O38  1  0.61149500  0.17166100  0.52611300  1
  O  O39  1  0.79426400  0.02018600  0.76035700  1
  O  O40  1  0.93342200  0.13589800  0.33181300  1
  O  O41  1  0.41705300  0.17448600  0.24269400  1
  O  O42  1  0.88850500  0.17166100  0.02611300  1
  O  O43  1  0.70573600  0.02018600  0.26035700  1
