# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18946300
_cell_length_b   7.12461700
_cell_length_c   9.71885092
_cell_angle_alpha   68.12434999
_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   526.23212532
_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  0.62815900  0.21806500  0.86743800  1
  Li  Li1  1  0.82773400  0.59451200  0.50725300  1
  Li  Li2  1  0.37184100  0.21806500  0.36743800  1
  Li  Li3  1  0.17226600  0.59451200  0.00725300  1
  Mn  Mn4  1  0.75148800  0.50341800  0.00075200  1
  Mn  Mn5  1  0.75203900  0.01230300  0.50077200  1
  Mn  Mn6  1  0.24796100  0.01230300  0.00077200  1
  Mn  Mn7  1  0.24851200  0.50341800  0.50075200  1
  P  P8  1  0.99261000  0.34498500  0.79501600  1
  P  P9  1  0.49981200  0.65404900  0.69985400  1
  P  P10  1  0.07700600  0.92399100  0.31701300  1
  P  P11  1  0.57058300  0.07270900  0.18517200  1
  P  P12  1  0.92299400  0.92399100  0.81701300  1
  P  P13  1  0.42941700  0.07270900  0.68517200  1
  P  P14  1  0.00739000  0.34498500  0.29501600  1
  P  P15  1  0.50018800  0.65404900  0.19985400  1
  O  O16  1  0.14421200  0.28214500  0.89276500  1
  O  O17  1  0.02258000  0.44714500  0.62903500  1
  O  O18  1  0.38305000  0.52198200  0.65265700  1
  O  O19  1  0.87742000  0.48025300  0.84066500  1
  O  O20  1  0.60853400  0.84599900  0.19432200  1
  O  O21  1  0.54552800  0.52879200  0.85874200  1
  O  O22  1  0.21476200  0.79921000  0.41425000  1
  O  O23  1  0.08109000  0.94398800  0.15394400  1
  O  O24  1  0.64646500  0.73120500  0.59296800  1
  O  O25  1  0.90520400  0.86676500  0.37979700  1
  O  O26  1  0.39658500  0.12820400  0.13179600  1
  O  O27  1  0.39146600  0.84599900  0.69432200  1
  O  O28  1  0.58228200  0.07578300  0.34337200  1
  O  O29  1  0.70049700  0.19813900  0.07539800  1
  O  O30  1  0.78523800  0.79921000  0.91425000  1
  O  O31  1  0.91891000  0.94398800  0.65394400  1
  O  O32  1  0.12045100  0.14644700  0.32109900  1
  O  O33  1  0.09479600  0.86676500  0.87979700  1
  O  O34  1  0.60341500  0.12820400  0.63179600  1
  O  O35  1  0.85578800  0.28214500  0.39276500  1
  O  O36  1  0.41771800  0.07578300  0.84337200  1
  O  O37  1  0.29950300  0.19813900  0.57539800  1
  O  O38  1  0.97742000  0.44714500  0.12903500  1
  O  O39  1  0.87954900  0.14644700  0.82109900  1
  O  O40  1  0.61695000  0.52198200  0.15265700  1
  O  O41  1  0.12258000  0.48025300  0.34066500  1
  O  O42  1  0.45447200  0.52879200  0.35874200  1
  O  O43  1  0.35353500  0.73120500  0.09296800  1
