# generated using pymatgen
data_Li3MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47858500
_cell_length_b   9.56719000
_cell_length_c   9.84107626
_cell_angle_alpha   63.69605383
_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   546.80955304
_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  0.24923200  0.10273300  0.56229600  1
  Li  Li1  1  0.25076800  0.10273300  0.06229600  1
  Li  Li2  1  0.48776500  0.28624600  0.73995300  1
  Li  Li3  1  0.01223500  0.28624600  0.23995300  1
  Li  Li4  1  0.74566000  0.35283200  0.93399500  1
  Li  Li5  1  0.75434000  0.35283200  0.43399500  1
  Li  Li6  1  0.24566000  0.64716800  0.56600500  1
  Li  Li7  1  0.25434000  0.64716800  0.06600500  1
  Li  Li8  1  0.98776500  0.71375400  0.76004700  1
  Li  Li9  1  0.51223500  0.71375400  0.26004700  1
  Li  Li10  1  0.74923200  0.89726700  0.93770400  1
  Li  Li11  1  0.75076800  0.89726700  0.43770400  1
  Mn  Mn12  1  0.00182700  0.26873300  0.73579700  1
  Mn  Mn13  1  0.49817300  0.26873300  0.23579700  1
  Mn  Mn14  1  0.50182700  0.73126700  0.76420300  1
  Mn  Mn15  1  0.99817300  0.73126700  0.26420300  1
  P  P16  1  0.24780600  0.40747100  0.93635900  1
  P  P17  1  0.25219400  0.40747100  0.43635900  1
  P  P18  1  0.74780600  0.59252900  0.56364100  1
  P  P19  1  0.75219400  0.59252900  0.06364100  1
  C  C20  1  0.75223700  0.04163000  0.62669100  1
  C  C21  1  0.74776300  0.04163000  0.12669100  1
  C  C22  1  0.25223700  0.95837000  0.87330900  1
  C  C23  1  0.24776300  0.95837000  0.37330900  1
  O  O24  1  0.76001900  0.06964900  0.98760100  1
  O  O25  1  0.73998100  0.06964900  0.48760100  1
  O  O26  1  0.25035200  0.10412500  0.76535400  1
  O  O27  1  0.76493300  0.15290700  0.66805700  1
  O  O28  1  0.24964800  0.10412500  0.26535400  1
  O  O29  1  0.73506700  0.15290700  0.16805700  1
  O  O30  1  0.05649300  0.31044400  0.93219700  1
  O  O31  1  0.43720200  0.30966900  0.93405600  1
  O  O32  1  0.06279800  0.30966900  0.43405600  1
  O  O33  1  0.44350700  0.31044400  0.43219700  1
  O  O34  1  0.74441000  0.42580500  0.69686400  1
  O  O35  1  0.24973600  0.42264600  0.58841300  1
  O  O36  1  0.75559000  0.42580500  0.19686400  1
  O  O37  1  0.25026400  0.42264600  0.08841300  1
  O  O38  1  0.74973600  0.57735400  0.91158700  1
  O  O39  1  0.24441000  0.57419500  0.80313600  1
  O  O40  1  0.75026400  0.57735400  0.41158700  1
  O  O41  1  0.25559000  0.57419500  0.30313600  1
  O  O42  1  0.93720200  0.69033100  0.56594400  1
  O  O43  1  0.55649300  0.68955600  0.56780300  1
  O  O44  1  0.94350700  0.68955600  0.06780300  1
  O  O45  1  0.56279800  0.69033100  0.06594400  1
  O  O46  1  0.26493300  0.84709300  0.83194300  1
  O  O47  1  0.75035200  0.89587500  0.73464600  1
  O  O48  1  0.23506700  0.84709300  0.33194300  1
  O  O49  1  0.74964800  0.89587500  0.23464600  1
  O  O50  1  0.26001900  0.93035100  0.51239900  1
  O  O51  1  0.23998100  0.93035100  0.01239900  1
