# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40752300
_cell_length_b   6.65761900
_cell_length_c   7.94901001
_cell_angle_alpha   60.90145027
_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   527.50634496
_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  0.08925300  0.73497700  0.73856400  1
  Li  Li1  1  0.41074700  0.73497700  0.23856400  1
  Li  Li2  1  0.58925300  0.26502300  0.76143600  1
  Li  Li3  1  0.91074700  0.26502300  0.26143600  1
  Mn  Mn4  1  0.70873900  0.55141000  0.90108400  1
  Mn  Mn5  1  0.79126100  0.55141000  0.40108300  1
  Mn  Mn6  1  0.20873900  0.44859000  0.59891600  1
  Mn  Mn7  1  0.29126100  0.44859000  0.09891600  1
  P  P8  1  0.35098100  0.98799300  0.78963400  1
  P  P9  1  0.14901900  0.98799300  0.28963400  1
  P  P10  1  0.41316600  0.63100000  0.69030700  1
  P  P11  1  0.08683400  0.63100000  0.19030700  1
  P  P12  1  0.91316600  0.36900000  0.80969300  1
  P  P13  1  0.58683400  0.36900000  0.30969300  1
  P  P14  1  0.85098100  0.01200700  0.71036600  1
  P  P15  1  0.64901900  0.01200700  0.21036600  1
  O  O16  1  0.23381300  0.11955200  0.71149900  1
  O  O17  1  0.33419700  0.77254300  0.99155800  1
  O  O18  1  0.94706900  0.86779400  0.70308900  1
  O  O19  1  0.38357600  0.89144700  0.64320400  1
  O  O20  1  0.26618700  0.11955200  0.21149900  1
  O  O21  1  0.16580300  0.77254300  0.49155800  1
  O  O22  1  0.11727500  0.60805200  0.01389700  1
  O  O23  1  0.55293100  0.86779400  0.20308900  1
  O  O24  1  0.11642400  0.89144700  0.14320400  1
  O  O25  1  0.31306300  0.48166100  0.83640500  1
  O  O26  1  0.38272500  0.60805200  0.51389700  1
  O  O27  1  0.53789900  0.57558100  0.76288100  1
  O  O28  1  0.03789900  0.42441900  0.73711900  1
  O  O29  1  0.81306300  0.51833900  0.66359500  1
  O  O30  1  0.18693700  0.48166100  0.33640500  1
  O  O31  1  0.96210100  0.57558100  0.26288100  1
  O  O32  1  0.46210100  0.42441900  0.23711900  1
  O  O33  1  0.61727500  0.39194800  0.48610300  1
  O  O34  1  0.68693700  0.51833900  0.16359500  1
  O  O35  1  0.88357600  0.10855300  0.85679600  1
  O  O36  1  0.44706900  0.13220600  0.79691100  1
  O  O37  1  0.88272500  0.39194800  0.98610300  1
  O  O38  1  0.83419700  0.22745700  0.50844200  1
  O  O39  1  0.73381300  0.88044800  0.78850100  1
  O  O40  1  0.61642400  0.10855300  0.35679600  1
  O  O41  1  0.05293100  0.13220600  0.29691100  1
  O  O42  1  0.66580300  0.22745700  0.00844200  1
  O  O43  1  0.76618700  0.88044800  0.28850100  1
