# generated using pymatgen
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57422800
_cell_length_b   8.57925946
_cell_length_c   9.98929692
_cell_angle_alpha   94.61336314
_cell_angle_beta   90.25724777
_cell_angle_gamma   90.49983829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnPCO7
_chemical_formula_sum   'Li12 Mn4 P4 C4 O28'
_cell_volume   561.56202857
_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  0.74352000  0.91036900  0.38202600  1
  Li  Li1  1  0.74481400  0.91004500  0.87951600  1
  Li  Li2  1  0.52685100  0.72082300  0.12250900  1
  Li  Li3  1  0.96814900  0.72740000  0.62316600  1
  Li  Li4  1  0.53426900  0.72647500  0.62271500  1
  Li  Li5  1  0.74873800  0.33739800  0.10516400  1
  Li  Li6  1  0.47989200  0.27590200  0.36823400  1
  Li  Li7  1  0.01954200  0.27606600  0.36785400  1
  Li  Li8  1  0.48395200  0.27551800  0.88988600  1
  Li  Li9  1  0.01500700  0.27476500  0.88968100  1
  Li  Li10  1  0.25264300  0.10480300  0.11337000  1
  Li  Li11  1  0.25096800  0.09561300  0.61871500  1
  Mn  Mn12  1  0.98915600  0.73041900  0.13398500  1
  Mn  Mn13  1  0.25372800  0.65283400  0.39484800  1
  Mn  Mn14  1  0.25781700  0.65522300  0.87733000  1
  Mn  Mn15  1  0.75005400  0.33942100  0.61360100  1
  P  P16  1  0.74984300  0.58761000  0.36046500  1
  P  P17  1  0.75080100  0.58711500  0.86105300  1
  P  P18  1  0.24964200  0.40690400  0.13787500  1
  P  P19  1  0.25019300  0.40726300  0.63828300  1
  C  C20  1  0.24438800  0.96616600  0.35019800  1
  C  C21  1  0.24733900  0.96653900  0.85231700  1
  C  C22  1  0.74913500  0.04001400  0.14886500  1
  C  C23  1  0.75028000  0.03297400  0.64892000  1
  O  O24  1  0.25216900  0.93038800  0.47256200  1
  O  O25  1  0.74895800  0.89037000  0.18159600  1
  O  O26  1  0.24350100  0.93018800  0.97615700  1
  O  O27  1  0.23482700  0.85055900  0.25384900  1
  O  O28  1  0.75078600  0.88742000  0.67914200  1
  O  O29  1  0.24984500  0.85401800  0.75546000  1
  O  O30  1  0.93710700  0.68932300  0.41211200  1
  O  O31  1  0.56771100  0.68905700  0.41512000  1
  O  O32  1  0.93969300  0.68760200  0.91531500  1
  O  O33  1  0.57035600  0.68976500  0.91663100  1
  O  O34  1  0.24981600  0.57954200  0.09288600  1
  O  O35  1  0.75027700  0.57440400  0.20358600  1
  O  O36  1  0.25096000  0.57855700  0.59664500  1
  O  O37  1  0.75003500  0.57933900  0.70386000  1
  O  O38  1  0.25024600  0.42320100  0.29594400  1
  O  O39  1  0.74870800  0.42259900  0.41010800  1
  O  O40  1  0.25056900  0.41990700  0.79534800  1
  O  O41  1  0.74987500  0.42066900  0.90515600  1
  O  O42  1  0.06066100  0.31275800  0.08656400  1
  O  O43  1  0.43779900  0.31570900  0.08628100  1
  O  O44  1  0.43398500  0.31073800  0.58274200  1
  O  O45  1  0.06488500  0.30995800  0.58161000  1
  O  O46  1  0.74713700  0.14803100  0.24492300  1
  O  O47  1  0.24909700  0.10849700  0.31702300  1
  O  O48  1  0.75025200  0.14385600  0.74567600  1
  O  O49  1  0.75041500  0.06722800  0.02476500  1
  O  O50  1  0.24992600  0.11045700  0.82239000  1
  O  O51  1  0.74968800  0.06819800  0.52597100  1
