# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17566100
_cell_length_b   8.54449100
_cell_length_c   14.23054406
_cell_angle_alpha   62.08690057
_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   556.10659385
_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  0.18514000  0.23823000  0.97840300  1
  Li  Li1  1  0.68514000  0.76177000  0.52159700  1
  Li  Li2  1  0.31486000  0.23823000  0.47840300  1
  Li  Li3  1  0.81486000  0.76177000  0.02159700  1
  Mn  Mn4  1  0.28444700  0.53234000  0.64204900  1
  Mn  Mn5  1  0.78444700  0.46766000  0.85795100  1
  Mn  Mn6  1  0.21555300  0.53234000  0.14204900  1
  Mn  Mn7  1  0.71555300  0.46766000  0.35795100  1
  P  P8  1  0.72896500  0.17539200  0.84054300  1
  P  P9  1  0.20788600  0.67454800  0.38661300  1
  P  P10  1  0.22896500  0.82460800  0.65945700  1
  P  P11  1  0.29211400  0.67454800  0.88661300  1
  P  P12  1  0.70788600  0.32545200  0.11338700  1
  P  P13  1  0.77103500  0.17539200  0.34054300  1
  P  P14  1  0.79211400  0.32545200  0.61338700  1
  P  P15  1  0.27103500  0.82460800  0.15945700  1
  O  O16  1  0.97627400  0.28559800  0.83902900  1
  O  O17  1  0.52030400  0.31737500  0.83311600  1
  O  O18  1  0.63191000  0.48405500  0.60436000  1
  O  O19  1  0.91656500  0.63553100  0.38522900  1
  O  O20  1  0.27721000  0.83650200  0.26959600  1
  O  O21  1  0.27819500  0.73437500  0.46747600  1
  O  O22  1  0.28819800  0.00700500  0.07184100  1
  O  O23  1  0.13191000  0.51594500  0.89564000  1
  O  O24  1  0.02030400  0.68262500  0.66688400  1
  O  O25  1  0.47627400  0.71440200  0.66097100  1
  O  O26  1  0.78819800  0.99299500  0.42815900  1
  O  O27  1  0.58343500  0.63553100  0.88522900  1
  O  O28  1  0.77819500  0.26562500  0.03252400  1
  O  O29  1  0.77721000  0.16349800  0.23040400  1
  O  O30  1  0.22279000  0.83650200  0.76959600  1
  O  O31  1  0.22180500  0.73437500  0.96747600  1
  O  O32  1  0.41656500  0.36446900  0.11477100  1
  O  O33  1  0.21180200  0.00700500  0.57184100  1
  O  O34  1  0.52372600  0.28559800  0.33902900  1
  O  O35  1  0.97969600  0.31737500  0.33311600  1
  O  O36  1  0.86809000  0.48405500  0.10436000  1
  O  O37  1  0.71180200  0.99299500  0.92815900  1
  O  O38  1  0.72180500  0.26562500  0.53252400  1
  O  O39  1  0.72279000  0.16349800  0.73040400  1
  O  O40  1  0.08343500  0.36446900  0.61477100  1
  O  O41  1  0.36809000  0.51594500  0.39564000  1
  O  O42  1  0.47969600  0.68262500  0.16688400  1
  O  O43  1  0.02372600  0.71440200  0.16097100  1
