# generated using pymatgen
data_LiMnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11668100
_cell_length_b   6.23710399
_cell_length_c   16.67242990
_cell_angle_alpha   90.96011351
_cell_angle_beta   94.25898177
_cell_angle_gamma   90.27142801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnPCO7
_chemical_formula_sum   'Li4 Mn4 P4 C4 O28'
_cell_volume   530.51845273
_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  0.75598800  0.96706800  0.13070100  1
  Li  Li1  1  0.24238000  0.47242700  0.36901800  1
  Li  Li2  1  0.75371400  0.52800800  0.63082000  1
  Li  Li3  1  0.24779500  0.46883500  0.87139300  1
  Mn  Mn4  1  0.20614400  0.25407500  0.16467800  1
  Mn  Mn5  1  0.79438500  0.76186400  0.33536400  1
  Mn  Mn6  1  0.20618100  0.24769300  0.66468500  1
  Mn  Mn7  1  0.79413600  0.74711200  0.83509000  1
  P  P8  1  0.27656100  0.75146500  0.21265800  1
  P  P9  1  0.72354600  0.25301200  0.28744800  1
  P  P10  1  0.27630000  0.74424400  0.71315300  1
  P  P11  1  0.72384900  0.25193800  0.78682900  1
  C  C12  1  0.28959800  0.24536500  0.02479400  1
  C  C13  1  0.71063500  0.73650300  0.47474000  1
  C  C14  1  0.29003600  0.26081300  0.52481700  1
  C  C15  1  0.70911200  0.75123100  0.97491600  1
  O  O16  1  0.05440800  0.24678300  0.05212600  1
  O  O17  1  0.66045200  0.76312400  0.04609200  1
  O  O18  1  0.47116000  0.22924300  0.08588200  1
  O  O19  1  0.17485000  0.94278600  0.16131100  1
  O  O20  1  0.20794700  0.55675200  0.15690700  1
  O  O21  1  0.85664500  0.23396400  0.20759400  1
  O  O22  1  0.57821500  0.77352000  0.23248300  1
  O  O23  1  0.42210300  0.27304300  0.26764800  1
  O  O24  1  0.14312700  0.73966100  0.29239800  1
  O  O25  1  0.79174400  0.06435500  0.34359300  1
  O  O26  1  0.82689300  0.44958000  0.33834200  1
  O  O27  1  0.52848500  0.73589200  0.41345900  1
  O  O28  1  0.33695000  0.27703100  0.45395500  1
  O  O29  1  0.94519000  0.75422300  0.44791100  1
  O  O30  1  0.05579000  0.24095600  0.55205300  1
  O  O31  1  0.66240400  0.72241200  0.54592900  1
  O  O32  1  0.47236600  0.26234500  0.58626300  1
  O  O33  1  0.20725700  0.94482400  0.66505000  1
  O  O34  1  0.17574700  0.55782200  0.65513800  1
  O  O35  1  0.85807900  0.26457000  0.70709000  1
  O  O36  1  0.57761300  0.71968300  0.73251100  1
  O  O37  1  0.42286200  0.27756700  0.76734600  1
  O  O38  1  0.14244000  0.73226200  0.79295900  1
  O  O39  1  0.79131300  0.05096900  0.83479600  1
  O  O40  1  0.82554600  0.43812300  0.84495800  1
  O  O41  1  0.52785300  0.73146600  0.91359900  1
  O  O42  1  0.33813300  0.26239900  0.95388300  1
  O  O43  1  0.94406800  0.76062000  0.94762400  1
