# generated using pymatgen
data_Li3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37597151
_cell_length_b   8.38235880
_cell_length_c   8.39904970
_cell_angle_alpha   77.44161962
_cell_angle_beta   89.91813502
_cell_angle_gamma   90.12819550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FePCO7
_chemical_formula_sum   'Li12 Fe4 P4 C4 O28'
_cell_volume   575.58946933
_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  0.22938400  0.72513200  0.77464900  1
  Li  Li1  1  0.22934500  0.22515800  0.27465400  1
  Li  Li2  1  0.40305800  0.22600000  0.77414300  1
  Li  Li3  1  0.40300500  0.72608100  0.27396400  1
  Li  Li4  1  0.02729000  0.34559600  0.92593000  1
  Li  Li5  1  0.02709700  0.84574900  0.42575400  1
  Li  Li6  1  0.02797000  0.57487200  0.15479300  1
  Li  Li7  1  0.02789300  0.07481800  0.65462600  1
  Li  Li8  1  0.60523700  0.84397600  0.92666500  1
  Li  Li9  1  0.60523400  0.34395500  0.42656800  1
  Li  Li10  1  0.60559100  0.57344200  0.65539000  1
  Li  Li11  1  0.60529300  0.07348300  0.15551800  1
  Fe  Fe12  1  0.63550800  0.99263100  0.50755500  1
  Fe  Fe13  1  0.99723200  0.99332700  0.00678800  1
  Fe  Fe14  1  0.63579900  0.49276300  0.00735300  1
  Fe  Fe15  1  0.99750400  0.49299700  0.50693800  1
  P  P16  1  0.73201900  0.26882400  0.73113700  1
  P  P17  1  0.73196500  0.76889900  0.23118800  1
  P  P18  1  0.90097700  0.26956600  0.23056900  1
  P  P19  1  0.90107300  0.76970900  0.73037100  1
  C  C20  1  0.30758400  0.48756600  0.51224900  1
  C  C21  1  0.30741500  0.98757200  0.01221700  1
  C  C22  1  0.32518200  0.48922600  0.01071100  1
  C  C23  1  0.32505300  0.98925200  0.51067300  1
  O  O24  1  0.22504500  0.59367000  0.40625900  1
  O  O25  1  0.22486300  0.09378000  0.90633600  1
  O  O26  1  0.41002700  0.59478500  0.90555800  1
  O  O27  1  0.40991900  0.09481100  0.40554000  1
  O  O28  1  0.23300200  0.37897700  0.62076100  1
  O  O29  1  0.23288100  0.87887300  0.12064200  1
  O  O30  1  0.39734700  0.37968300  0.11950900  1
  O  O31  1  0.39722100  0.87974400  0.61949700  1
  O  O32  1  0.17156500  0.49790700  0.00232600  1
  O  O33  1  0.17144800  0.99792200  0.50223700  1
  O  O34  1  0.46136800  0.49418600  0.50561100  1
  O  O35  1  0.46120800  0.99424100  0.00551800  1
  O  O36  1  0.86420800  0.41522700  0.08507700  1
  O  O37  1  0.86402800  0.91532600  0.58491600  1
  O  O38  1  0.76884700  0.91453900  0.08535100  1
  O  O39  1  0.76900300  0.41436400  0.58524200  1
  O  O40  1  0.74117200  0.69492500  0.80503300  1
  O  O41  1  0.74097200  0.19496100  0.30509900  1
  O  O42  1  0.89204200  0.19508900  0.80521800  1
  O  O43  1  0.89200800  0.69523300  0.30528600  1
  O  O44  1  0.01002400  0.64839400  0.66434900  1
  O  O45  1  0.00985100  0.14810700  0.16467900  1
  O  O46  1  0.01021200  0.83598800  0.85126500  1
  O  O47  1  0.01013900  0.33567400  0.35156900  1
  O  O48  1  0.62288700  0.33483200  0.85232400  1
  O  O49  1  0.62267800  0.83475400  0.35237600  1
  O  O50  1  0.62306800  0.64673500  0.16594000  1
  O  O51  1  0.62296000  0.14670200  0.66603600  1
