# generated using pymatgen
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58525000
_cell_length_b   8.57228241
_cell_length_c   9.98789046
_cell_angle_alpha   85.41027651
_cell_angle_beta   89.92381319
_cell_angle_gamma   89.47241686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnPCO7
_chemical_formula_sum   'Li12 Mn4 P4 C4 O28'
_cell_volume   561.99067109
_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  0.25405300  0.90568400  0.61455900  1
  Li  Li1  1  0.25588900  0.90558500  0.12282200  1
  Li  Li2  1  0.48623600  0.72446200  0.88960900  1
  Li  Li3  1  0.02013900  0.72655700  0.36608600  1
  Li  Li4  1  0.47848300  0.72598800  0.36634100  1
  Li  Li5  1  0.74021300  0.65624600  0.12110600  1
  Li  Li6  1  0.53024900  0.27512200  0.61893400  1
  Li  Li7  1  0.96985600  0.27515600  0.61919400  1
  Li  Li8  1  0.53650300  0.27754300  0.12673200  1
  Li  Li9  1  0.96387200  0.27669500  0.12672300  1
  Li  Li10  1  0.74739300  0.09797000  0.88602700  1
  Li  Li11  1  0.74902000  0.09159900  0.37631400  1
  Mn  Mn12  1  0.99670800  0.73845500  0.88285900  1
  Mn  Mn13  1  0.74751200  0.65578600  0.60439700  1
  Mn  Mn14  1  0.25078200  0.34041000  0.89339500  1
  Mn  Mn15  1  0.24997300  0.34135900  0.38540700  1
  P  P16  1  0.24929100  0.59085000  0.63916700  1
  P  P17  1  0.25259000  0.59074700  0.13866700  1
  P  P18  1  0.74999900  0.40914800  0.85974800  1
  P  P19  1  0.74981900  0.41121600  0.35847900  1
  C  C20  1  0.75451000  0.96633500  0.64947000  1
  C  C21  1  0.75360600  0.96140900  0.14644500  1
  C  C22  1  0.25045200  0.03513500  0.85119500  1
  C  C23  1  0.24975900  0.03282700  0.35162500  1
  O  O24  1  0.74829400  0.93130200  0.52747500  1
  O  O25  1  0.24789000  0.88855700  0.81885100  1
  O  O26  1  0.76010400  0.92823000  0.02155600  1
  O  O27  1  0.76157400  0.85151800  0.74623600  1
  O  O28  1  0.24944400  0.88733400  0.32280400  1
  O  O29  1  0.75026300  0.85264600  0.24334600  1
  O  O30  1  0.06368900  0.69093000  0.58722700  1
  O  O31  1  0.43266100  0.69017500  0.58618200  1
  O  O32  1  0.06082600  0.68698200  0.08821800  1
  O  O33  1  0.43625200  0.68794000  0.08569300  1
  O  O34  1  0.74751000  0.57771400  0.90547000  1
  O  O35  1  0.24625600  0.57846300  0.79782500  1
  O  O36  1  0.74926600  0.57878500  0.40695700  1
  O  O37  1  0.25082100  0.57733300  0.29603800  1
  O  O38  1  0.75000600  0.42168700  0.70254700  1
  O  O39  1  0.25110000  0.42231300  0.59485300  1
  O  O40  1  0.74961300  0.42518100  0.20340600  1
  O  O41  1  0.25108700  0.42075400  0.09445000  1
  O  O42  1  0.93507100  0.31038200  0.91413500  1
  O  O43  1  0.56663000  0.31127700  0.91452700  1
  O  O44  1  0.56619900  0.31215500  0.41507900  1
  O  O45  1  0.93458700  0.31143300  0.41547600  1
  O  O46  1  0.25319900  0.14596000  0.75509900  1
  O  O47  1  0.75107700  0.10959800  0.68276300  1
  O  O48  1  0.24985300  0.14362700  0.25432300  1
  O  O49  1  0.25022900  0.06657000  0.97448100  1
  O  O50  1  0.74942800  0.10892900  0.17501700  1
  O  O51  1  0.25016400  0.06994000  0.47467000  1
