# generated using pymatgen
data_Li12Mn3FeP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59421700
_cell_length_b   8.53562100
_cell_length_c   10.01150931
_cell_angle_alpha   85.46800626
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Mn3FeP4(CO7)4
_chemical_formula_sum   'Li12 Mn3 Fe1 P4 C4 O28'
_cell_volume   561.74330744
_cell_formula_units_Z   1
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  0.00000000  0.90930800  0.62123400  1
  Li  Li1  1  0.00000000  0.90875600  0.12109400  1
  Li  Li2  1  0.22305600  0.72681700  0.87705900  1
  Li  Li3  1  0.77694400  0.72681700  0.87705900  1
  Li  Li4  1  0.22276500  0.72653300  0.37695800  1
  Li  Li5  1  0.77723500  0.72653300  0.37695800  1
  Li  Li6  1  0.72428000  0.27312200  0.62321800  1
  Li  Li7  1  0.27572000  0.27312200  0.62321800  1
  Li  Li8  1  0.72406500  0.27328300  0.12310600  1
  Li  Li9  1  0.27593500  0.27328300  0.12310600  1
  Li  Li10  1  0.50000000  0.09090100  0.87875500  1
  Li  Li11  1  0.50000000  0.09012700  0.37854200  1
  Mn  Mn12  1  0.50000000  0.65942000  0.61045800  1
  Mn  Mn13  1  0.50000000  0.65956000  0.10998500  1
  Mn  Mn14  1  0.00000000  0.34079900  0.88987700  1
  Fe  Fe15  1  0.00000000  0.33652300  0.39328700  1
  P  P16  1  0.00000000  0.59030800  0.63965100  1
  P  P17  1  0.00000000  0.58867500  0.14073100  1
  P  P18  1  0.50000000  0.41004100  0.85988300  1
  P  P19  1  0.50000000  0.41064800  0.35939400  1
  C  C20  1  0.50000000  0.96704100  0.64777700  1
  C  C21  1  0.50000000  0.96697900  0.14776900  1
  C  C22  1  0.00000000  0.03283600  0.85230300  1
  C  C23  1  0.00000000  0.03399100  0.35184800  1
  O  O24  1  0.50000000  0.92998100  0.52471500  1
  O  O25  1  0.00000000  0.88714600  0.82298200  1
  O  O26  1  0.50000000  0.92997000  0.02483300  1
  O  O27  1  0.50000000  0.85576300  0.74473300  1
  O  O28  1  0.00000000  0.88837700  0.32296800  1
  O  O29  1  0.50000000  0.85567100  0.24484000  1
  O  O30  1  0.18428400  0.69002700  0.58647200  1
  O  O31  1  0.81571600  0.69002700  0.58647200  1
  O  O32  1  0.18393300  0.68935700  0.08731200  1
  O  O33  1  0.81606700  0.68935700  0.08731200  1
  O  O34  1  0.50000000  0.57938100  0.90580200  1
  O  O35  1  0.00000000  0.57586200  0.79650400  1
  O  O36  1  0.50000000  0.57917100  0.40604400  1
  O  O37  1  0.00000000  0.57298300  0.29785900  1
  O  O38  1  0.50000000  0.42397900  0.70291200  1
  O  O39  1  0.00000000  0.42127200  0.59292100  1
  O  O40  1  0.50000000  0.42376000  0.20292700  1
  O  O41  1  0.00000000  0.42082700  0.09231200  1
  O  O42  1  0.31588500  0.31037500  0.91335400  1
  O  O43  1  0.68411500  0.31037500  0.91335400  1
  O  O44  1  0.68612700  0.31132400  0.41272500  1
  O  O45  1  0.31387300  0.31132400  0.41272500  1
  O  O46  1  0.00000000  0.14436600  0.75519000  1
  O  O47  1  0.50000000  0.11299700  0.67684300  1
  O  O48  1  0.00000000  0.14615800  0.25532500  1
  O  O49  1  0.00000000  0.06997700  0.97527000  1
  O  O50  1  0.50000000  0.11291000  0.17711100  1
  O  O51  1  0.00000000  0.07186200  0.47491400  1
