# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86815005
_cell_length_b   6.46587305
_cell_length_c   17.27430599
_cell_angle_alpha   90.01508192
_cell_angle_beta   86.01759745
_cell_angle_gamma   90.00443617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   542.42764862
_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  0.77415200  0.26850700  0.05583900  1
  Li  Li1  1  0.77397800  0.26826500  0.55585600  1
  Li  Li2  1  0.22590500  0.76827700  0.44412000  1
  Li  Li3  1  0.22602100  0.76845300  0.94417400  1
  Li  Li4  1  0.24207100  0.47799600  0.14524500  1
  Li  Li5  1  0.24204700  0.47752000  0.64533400  1
  Li  Li6  1  0.75775700  0.97808000  0.35479300  1
  Li  Li7  1  0.75791700  0.97795200  0.85477200  1
  Li  Li8  1  0.77941400  0.73821100  0.18213300  1
  Li  Li9  1  0.77941800  0.73791800  0.68217900  1
  Li  Li10  1  0.22049100  0.23816300  0.31787500  1
  Li  Li11  1  0.22065800  0.23800400  0.81786000  1
  Fe  Fe12  1  0.25130400  0.98863000  0.62775900  1
  Fe  Fe13  1  0.74871000  0.48935900  0.87204000  1
  Fe  Fe14  1  0.25123500  0.98951500  0.12793700  1
  Fe  Fe15  1  0.74853800  0.48943600  0.37208600  1
  P  P16  1  0.72155100  0.24663100  0.20470000  1
  P  P17  1  0.72161800  0.24633000  0.70468400  1
  P  P18  1  0.27831100  0.74667700  0.29529600  1
  P  P19  1  0.27842800  0.74651100  0.79531800  1
  C  C20  1  0.71448400  0.76636900  0.02241200  1
  C  C21  1  0.71452300  0.76612000  0.52240500  1
  C  C22  1  0.28548200  0.26623100  0.47758300  1
  C  C23  1  0.28566400  0.26637300  0.97758700  1
  O  O24  1  0.97150300  0.77842900  0.03333000  1
  O  O25  1  0.97156700  0.77830100  0.53328700  1
  O  O26  1  0.02846400  0.27846900  0.46668800  1
  O  O27  1  0.02866600  0.27845000  0.96668400  1
  O  O28  1  0.36733900  0.24305100  0.04845400  1
  O  O29  1  0.36714400  0.24258700  0.54843700  1
  O  O30  1  0.63274100  0.74294500  0.45154700  1
  O  O31  1  0.63288700  0.74307700  0.95152500  1
  O  O32  1  0.52852400  0.77271700  0.08012500  1
  O  O33  1  0.52872500  0.77225800  0.58016000  1
  O  O34  1  0.47140500  0.27274900  0.41986400  1
  O  O35  1  0.47157300  0.27272800  0.91986200  1
  O  O36  1  0.84200400  0.05710100  0.15760300  1
  O  O37  1  0.84210500  0.05680300  0.65760400  1
  O  O38  1  0.15790600  0.55710700  0.34235900  1
  O  O39  1  0.15810700  0.55698600  0.84241500  1
  O  O40  1  0.82356900  0.43735700  0.15681600  1
  O  O41  1  0.82357400  0.43707400  0.65679300  1
  O  O42  1  0.17626100  0.93737200  0.34322800  1
  O  O43  1  0.17640600  0.93724500  0.84322300  1
  O  O44  1  0.18921000  0.74321200  0.21097300  1
  O  O45  1  0.18925300  0.74288100  0.71100300  1
  O  O46  1  0.81066200  0.24314700  0.28902000  1
  O  O47  1  0.81078900  0.24300400  0.78900900  1
  O  O48  1  0.40035300  0.23243900  0.20704800  1
  O  O49  1  0.40045100  0.23206700  0.70703600  1
  O  O50  1  0.59949900  0.73253400  0.29296000  1
  O  O51  1  0.59963500  0.73239100  0.79295900  1
