# generated using pymatgen
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23686900
_cell_length_b   8.34593988
_cell_length_c   10.22515555
_cell_angle_alpha   94.23238698
_cell_angle_beta   90.28515331
_cell_angle_gamma   90.96913860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPCO7
_chemical_formula_sum   'Li4 Mn4 P4 C4 O28'
_cell_volume   530.70750591
_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  0.96724200  0.25877100  0.87609500  1
  Li  Li1  1  0.52881700  0.26000900  0.37574400  1
  Li  Li2  1  0.47163000  0.74219000  0.62259200  1
  Li  Li3  1  0.47187000  0.73963500  0.12293200  1
  Mn  Mn4  1  0.24997200  0.32938200  0.60326900  1
  Mn  Mn5  1  0.25178600  0.32960300  0.10336800  1
  Mn  Mn6  1  0.75306700  0.67024200  0.89690200  1
  Mn  Mn7  1  0.75573300  0.67095300  0.39733300  1
  P  P8  1  0.74985700  0.42630000  0.63799300  1
  P  P9  1  0.74607300  0.42598500  0.13833000  1
  P  P10  1  0.24760600  0.57459500  0.86188500  1
  P  P11  1  0.25725900  0.57410400  0.36233500  1
  C  C12  1  0.25031000  0.04922900  0.64512500  1
  C  C13  1  0.25527600  0.04950000  0.14487400  1
  C  C14  1  0.74597400  0.94995500  0.85471000  1
  C  C15  1  0.74169000  0.95022800  0.35512100  1
  O  O16  1  0.25306200  0.10401300  0.52748500  1
  O  O17  1  0.75865800  0.09173300  0.83014300  1
  O  O18  1  0.23495600  0.10422800  0.02793700  1
  O  O19  1  0.23082200  0.17116400  0.73576800  1
  O  O20  1  0.72683400  0.09184800  0.33112600  1
  O  O21  1  0.26028900  0.17171200  0.23633000  1
  O  O22  1  0.94587200  0.32742300  0.59531100  1
  O  O23  1  0.55906400  0.31200000  0.59445700  1
  O  O24  1  0.94173600  0.32479300  0.09554900  1
  O  O25  1  0.55533500  0.31302300  0.09570900  1
  O  O26  1  0.22626500  0.41494500  0.92831900  1
  O  O27  1  0.75516200  0.46527600  0.78939700  1
  O  O28  1  0.27175900  0.41439800  0.42874000  1
  O  O29  1  0.73604400  0.46576200  0.28957600  1
  O  O30  1  0.27439300  0.53472800  0.71155400  1
  O  O31  1  0.73386700  0.58576600  0.57151900  1
  O  O32  1  0.27600500  0.53515900  0.21127300  1
  O  O33  1  0.74015600  0.58567300  0.07164900  1
  O  O34  1  0.05678600  0.68514200  0.89285800  1
  O  O35  1  0.44234600  0.67725900  0.91607900  1
  O  O36  1  0.44520900  0.68937600  0.41064400  1
  O  O37  1  0.05881600  0.67170300  0.39953600  1
  O  O38  1  0.72684500  0.82721000  0.76410200  1
  O  O39  1  0.26715400  0.90795800  0.66945000  1
  O  O40  1  0.74047500  0.82756400  0.26399800  1
  O  O41  1  0.75469600  0.89556000  0.97234200  1
  O  O42  1  0.27075900  0.90760400  0.16806700  1
  O  O43  1  0.76010100  0.89629500  0.47247700  1
