# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10594400
_cell_length_b   7.18604200
_cell_length_c   9.59251125
_cell_angle_alpha   67.91787839
_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   517.77313625
_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  0.52602900  0.68120900  0.29073900  1
  Li  Li1  1  0.47397100  0.31879100  0.70926100  1
  Li  Li2  1  0.97397100  0.68120900  0.79073900  1
  Li  Li3  1  0.02602900  0.31879100  0.20926100  1
  Mn  Mn4  1  0.49449600  0.25425100  0.24902000  1
  Mn  Mn5  1  0.00550400  0.25425100  0.74902000  1
  Mn  Mn6  1  0.99449600  0.74574900  0.25098000  1
  Mn  Mn7  1  0.50550400  0.74574900  0.75098000  1
  P  P8  1  0.79162000  0.33624700  0.45419100  1
  P  P9  1  0.73580600  0.91693800  0.46086000  1
  P  P10  1  0.20838000  0.66375300  0.54580900  1
  P  P11  1  0.29162000  0.66375300  0.04580900  1
  P  P12  1  0.76419400  0.91693800  0.96086000  1
  P  P13  1  0.26419400  0.08306200  0.53914000  1
  P  P14  1  0.23580600  0.08306200  0.03914000  1
  P  P15  1  0.70838000  0.33624700  0.95419100  1
  O  O16  1  0.88556900  0.39704800  0.90357200  1
  O  O17  1  0.92571600  0.45762000  0.34501500  1
  O  O18  1  0.42275600  0.02853500  0.63603100  1
  O  O19  1  0.69049900  0.31204800  0.12024600  1
  O  O20  1  0.30950100  0.68795200  0.87975400  1
  O  O21  1  0.57428400  0.45762000  0.84501500  1
  O  O22  1  0.16961000  0.87822300  0.55818000  1
  O  O23  1  0.35820900  0.20101300  0.08894500  1
  O  O24  1  0.14179100  0.20101300  0.58894500  1
  O  O25  1  0.19049900  0.68795200  0.37975400  1
  O  O26  1  0.70381700  0.80527100  0.63082400  1
  O  O27  1  0.11443100  0.60295200  0.09642800  1
  O  O28  1  0.07428400  0.54238000  0.65498500  1
  O  O29  1  0.66961000  0.12177700  0.94182000  1
  O  O30  1  0.61443100  0.39704800  0.40357200  1
  O  O31  1  0.07724400  0.02853500  0.13603100  1
  O  O32  1  0.33039000  0.87822300  0.05818000  1
  O  O33  1  0.92275600  0.97146500  0.86396900  1
  O  O34  1  0.80950100  0.31204800  0.62024600  1
  O  O35  1  0.64179100  0.79898700  0.91105500  1
  O  O36  1  0.83039000  0.12177700  0.44182000  1
  O  O37  1  0.85820900  0.79898700  0.41105500  1
  O  O38  1  0.57724400  0.97146500  0.36396900  1
  O  O39  1  0.38556900  0.60295200  0.59642800  1
  O  O40  1  0.79618300  0.80527100  0.13082400  1
  O  O41  1  0.29618300  0.19472900  0.36917600  1
  O  O42  1  0.42571600  0.54238000  0.15498500  1
  O  O43  1  0.20381700  0.19472900  0.86917600  1
