# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46614700
_cell_length_b   8.53980225
_cell_length_c   10.02614089
_cell_angle_alpha   95.40403580
_cell_angle_beta   90.19163507
_cell_angle_gamma   90.52334992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   551.15100366
_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  0.74541200  0.90245600  0.38696000  1
  Li  Li1  1  0.74068800  0.90317800  0.88001900  1
  Li  Li2  1  0.51242000  0.72142600  0.10761600  1
  Li  Li3  1  0.98466000  0.72557300  0.63916800  1
  Li  Li4  1  0.51597900  0.72481400  0.63858100  1
  Li  Li5  1  0.25959700  0.65535800  0.87786000  1
  Li  Li6  1  0.47640600  0.27826100  0.37727200  1
  Li  Li7  1  0.02080000  0.27784600  0.37828100  1
  Li  Li8  1  0.47070400  0.27991700  0.87060200  1
  Li  Li9  1  0.02881800  0.27859600  0.87191100  1
  Li  Li10  1  0.25097100  0.10440500  0.11057500  1
  Li  Li11  1  0.25134300  0.08932400  0.62347300  1
  Fe  Fe12  1  0.00912600  0.74082200  0.11519700  1
  Fe  Fe13  1  0.24975600  0.66376500  0.39841900  1
  Fe  Fe14  1  0.74965300  0.33400900  0.10270400  1
  Fe  Fe15  1  0.74953600  0.33469300  0.60778900  1
  P  P16  1  0.75131000  0.58995700  0.35913500  1
  P  P17  1  0.74877200  0.58831400  0.86261000  1
  P  P18  1  0.25104000  0.41315200  0.14203900  1
  P  P19  1  0.25008600  0.41075300  0.64100700  1
  C  C20  1  0.24195900  0.96482100  0.34700800  1
  C  C21  1  0.24490400  0.96112700  0.85379800  1
  C  C22  1  0.75217200  0.03602300  0.15082600  1
  C  C23  1  0.74942500  0.03516000  0.65105600  1
  O  O24  1  0.25210100  0.93152800  0.46965200  1
  O  O25  1  0.75865600  0.88937200  0.18183300  1
  O  O26  1  0.23957000  0.92930800  0.97743600  1
  O  O27  1  0.23081100  0.84483500  0.25299900  1
  O  O28  1  0.75002300  0.88928600  0.67955100  1
  O  O29  1  0.24683100  0.85002100  0.75578600  1
  O  O30  1  0.93769100  0.69280800  0.41567400  1
  O  O31  1  0.56288700  0.69195400  0.40850800  1
  O  O32  1  0.94282100  0.68613400  0.91688300  1
  O  O33  1  0.56314300  0.69063800  0.91089700  1
  O  O34  1  0.25712700  0.57758000  0.09064300  1
  O  O35  1  0.75969000  0.57331400  0.20171900  1
  O  O36  1  0.25132000  0.57756500  0.59201000  1
  O  O37  1  0.75598100  0.57051000  0.70579700  1
  O  O38  1  0.25132600  0.42891400  0.29862100  1
  O  O39  1  0.74797400  0.42475100  0.40847200  1
  O  O40  1  0.25143900  0.42551300  0.79541500  1
  O  O41  1  0.74618700  0.42119700  0.91060200  1
  O  O42  1  0.06251900  0.31079200  0.08852200  1
  O  O43  1  0.43639700  0.31090000  0.08816600  1
  O  O44  1  0.43660400  0.31011500  0.58406200  1
  O  O45  1  0.06178900  0.30895100  0.58438300  1
  O  O46  1  0.74810600  0.14903800  0.24704300  1
  O  O47  1  0.24683800  0.10630200  0.31292800  1
  O  O48  1  0.74869900  0.14874500  0.74730300  1
  O  O49  1  0.74891100  0.06743400  0.02823900  1
  O  O50  1  0.24975200  0.10830800  0.82490000  1
  O  O51  1  0.74927200  0.07043900  0.52804700  1
