# generated using pymatgen
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48146200
_cell_length_b   8.58625400
_cell_length_c   9.85504580
_cell_angle_alpha   85.37631951
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnPCO7
_chemical_formula_sum   'Li12 Mn4 P4 C4 O28'
_cell_volume   546.66303151
_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  0.74784100  0.89914500  0.36508200  1
  Li  Li1  1  0.75215900  0.89914500  0.86508200  1
  Li  Li2  1  0.51265400  0.71635900  0.63266300  1
  Li  Li3  1  0.98734600  0.71635900  0.13266300  1
  Li  Li4  1  0.24630800  0.64910900  0.36027800  1
  Li  Li5  1  0.25369200  0.64910900  0.86027800  1
  Li  Li6  1  0.75369200  0.35089100  0.63972200  1
  Li  Li7  1  0.74630800  0.35089100  0.13972200  1
  Li  Li8  1  0.48734600  0.28364100  0.36733700  1
  Li  Li9  1  0.01265400  0.28364100  0.86733700  1
  Li  Li10  1  0.25215900  0.10085500  0.63491800  1
  Li  Li11  1  0.24784100  0.10085500  0.13491800  1
  Mn  Mn12  1  0.99843000  0.72914200  0.61982900  1
  Mn  Mn13  1  0.50157000  0.72914200  0.11982900  1
  Mn  Mn14  1  0.00157000  0.27085800  0.38017100  1
  Mn  Mn15  1  0.49843000  0.27085800  0.88017100  1
  P  P16  1  0.74864200  0.59250200  0.39015500  1
  P  P17  1  0.75135800  0.59250200  0.89015500  1
  P  P18  1  0.25135800  0.40749800  0.60984500  1
  P  P19  1  0.24864200  0.40749800  0.10984500  1
  C  C20  1  0.24842400  0.95841300  0.39749400  1
  C  C21  1  0.25157600  0.95841300  0.89749400  1
  C  C22  1  0.75157600  0.04158700  0.60250600  1
  C  C23  1  0.74842400  0.04158700  0.10250600  1
  O  O24  1  0.25890100  0.92964400  0.27271600  1
  O  O25  1  0.75235300  0.89507800  0.56860800  1
  O  O26  1  0.24109900  0.92964400  0.77271700  1
  O  O27  1  0.24087900  0.84749300  0.49525200  1
  O  O28  1  0.74764700  0.89507800  0.06860800  1
  O  O29  1  0.25912100  0.84749300  0.99525200  1
  O  O30  1  0.93840200  0.69031000  0.33970200  1
  O  O31  1  0.55772300  0.68982800  0.33710100  1
  O  O32  1  0.94227700  0.68982800  0.83710100  1
  O  O33  1  0.56159800  0.69031000  0.83970200  1
  O  O34  1  0.25501000  0.57441100  0.65988700  1
  O  O35  1  0.75009700  0.57667900  0.54956500  1
  O  O36  1  0.24499000  0.57441100  0.15988700  1
  O  O37  1  0.74990300  0.57667900  0.04956500  1
  O  O38  1  0.24990300  0.42332100  0.45043500  1
  O  O39  1  0.74499000  0.42558900  0.34011300  1
  O  O40  1  0.25009700  0.42332100  0.95043500  1
  O  O41  1  0.75501000  0.42558900  0.84011300  1
  O  O42  1  0.06159800  0.30969000  0.66029800  1
  O  O43  1  0.44227700  0.31017200  0.66289900  1
  O  O44  1  0.43840200  0.30969000  0.16029800  1
  O  O45  1  0.05772300  0.31017200  0.16289900  1
  O  O46  1  0.75912100  0.15250700  0.50474800  1
  O  O47  1  0.24764700  0.10492200  0.43139200  1
  O  O48  1  0.74087900  0.15250700  0.00474800  1
  O  O49  1  0.74109900  0.07035600  0.72728300  1
  O  O50  1  0.25235300  0.10492200  0.93139200  1
  O  O51  1  0.75890100  0.07035600  0.22728400  1
