# generated using pymatgen
data_LiMn(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72041800
_cell_length_b   8.72041800
_cell_length_c   8.96938247
_cell_angle_alpha   69.44661309
_cell_angle_beta   69.44661309
_cell_angle_gamma   99.98457171
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn(P2O7)2
_chemical_formula_sum   'Li2 Mn2 P8 O28'
_cell_volume   562.74219310
_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  0.36178200  0.63821800  0.75000000  1
  Li  Li1  1  0.63821800  0.36178200  0.25000000  1
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn3  1  0.00000000  0.50000000  0.50000000  1
  P  P4  1  0.21281600  0.31267000  0.69273300  1
  P  P5  1  0.68733000  0.78718400  0.80726700  1
  P  P6  1  0.78718400  0.68733000  0.30726700  1
  P  P7  1  0.31267000  0.21281600  0.19273300  1
  P  P8  1  0.28053300  0.85570300  0.42423100  1
  P  P9  1  0.14429700  0.71946700  0.07576900  1
  P  P10  1  0.71946700  0.14429700  0.57576900  1
  P  P11  1  0.85570300  0.28053300  0.92423100  1
  O  O12  1  0.03477000  0.23936400  0.87527500  1
  O  O13  1  0.76063600  0.96523000  0.62472500  1
  O  O14  1  0.96523000  0.76063600  0.12472500  1
  O  O15  1  0.23936400  0.03477000  0.37527500  1
  O  O16  1  0.26050800  0.15821100  0.67524900  1
  O  O17  1  0.84178900  0.73949200  0.82475100  1
  O  O18  1  0.73949200  0.84178900  0.32475100  1
  O  O19  1  0.15821100  0.26050800  0.17524900  1
  O  O20  1  0.35099300  0.43604900  0.70030700  1
  O  O21  1  0.56395100  0.64900700  0.79969300  1
  O  O22  1  0.64900700  0.56395100  0.29969300  1
  O  O23  1  0.43604900  0.35099300  0.20030700  1
  O  O24  1  0.17530100  0.40880200  0.53496700  1
  O  O25  1  0.59119800  0.82469900  0.96503300  1
  O  O26  1  0.82469900  0.59119800  0.46503300  1
  O  O27  1  0.40880200  0.17530100  0.03496700  1
  O  O28  1  0.35587900  0.83454500  0.55530500  1
  O  O29  1  0.16545500  0.64412100  0.94469500  1
  O  O30  1  0.64412100  0.16545500  0.44469500  1
  O  O31  1  0.83454500  0.35587900  0.05530500  1
  O  O32  1  0.40248400  0.85927100  0.24970000  1
  O  O33  1  0.14072900  0.59751600  0.25030000  1
  O  O34  1  0.59751600  0.14072900  0.75030000  1
  O  O35  1  0.85927100  0.40248400  0.74970000  1
  O  O36  1  0.10176400  0.71114500  0.51408200  1
  O  O37  1  0.28885500  0.89823600  0.98591800  1
  O  O38  1  0.89823600  0.28885500  0.48591800  1
  O  O39  1  0.71114500  0.10176400  0.01408200  1
