# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13367403
_cell_length_b   6.80489204
_cell_length_c   9.16452792
_cell_angle_alpha   69.22702243
_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   474.27090720
_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  0.43660451  0.20757106  0.91577647  1
  Li  Li1  1  0.93660451  0.79242894  0.58422353  1
  Li  Li2  1  0.06339549  0.20757106  0.41577647  1
  Li  Li3  1  0.56339549  0.79242894  0.08422353  1
  Mn  Mn4  1  0.06995141  0.29959499  0.82480931  1
  Mn  Mn5  1  0.56995141  0.70040501  0.67519069  1
  Mn  Mn6  1  0.43004859  0.29959499  0.32480931  1
  Mn  Mn7  1  0.93004859  0.70040501  0.17519069  1
  P  P8  1  0.72637531  0.45571701  0.47362791  1
  P  P9  1  0.22637531  0.54428299  0.02637209  1
  P  P10  1  0.73886042  0.05536158  0.76361731  1
  P  P11  1  0.23886042  0.94463842  0.73638269  1
  P  P12  1  0.27362469  0.54428299  0.52637209  1
  P  P13  1  0.77362469  0.45571701  0.97362791  1
  P  P14  1  0.26113958  0.94463842  0.23638269  1
  P  P15  1  0.76113958  0.05536158  0.26361731  1
  O  O16  1  0.58110556  0.48508331  0.36193315  1
  O  O17  1  0.88766768  0.45628325  0.39249733  1
  O  O18  1  0.76969069  0.62111206  0.05129884  1
  O  O19  1  0.26969069  0.37888794  0.44870116  1
  O  O20  1  0.41889444  0.51491669  0.63806685  1
  O  O21  1  0.11233232  0.54371675  0.60750267  1
  O  O22  1  0.23030931  0.37888794  0.94870116  1
  O  O23  1  0.73030931  0.62111206  0.55129884  1
  O  O24  1  0.61233232  0.45628325  0.89249733  1
  O  O25  1  0.91889444  0.48508331  0.86193315  1
  O  O26  1  0.31061324  0.76211004  0.39561025  1
  O  O27  1  0.75292235  0.86299540  0.21207086  1
  O  O28  1  0.09027328  0.89435461  0.19173902  1
  O  O29  1  0.38816597  0.96421490  0.11634581  1
  O  O30  1  0.18938676  0.76211004  0.89561025  1
  O  O31  1  0.74707765  0.86299540  0.71207086  1
  O  O32  1  0.88816597  0.03578510  0.38365419  1
  O  O33  1  0.40972672  0.89435461  0.69173902  1
  O  O34  1  0.59027328  0.10564539  0.30826098  1
  O  O35  1  0.11183403  0.96421490  0.61634581  1
  O  O36  1  0.25292235  0.13700460  0.28792914  1
  O  O37  1  0.81061324  0.23788996  0.10438975  1
  O  O38  1  0.61183403  0.03578510  0.88365419  1
  O  O39  1  0.90972672  0.10564539  0.80826098  1
  O  O40  1  0.24707765  0.13700460  0.78792914  1
  O  O41  1  0.68938676  0.23788996  0.60438975  1
  O  O42  1  0.08110556  0.51491669  0.13806685  1
  O  O43  1  0.38766768  0.54371675  0.10750267  1
