# generated using pymatgen
data_Li12MnFe3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51363500
_cell_length_b   8.53595600
_cell_length_c   10.04057321
_cell_angle_alpha   85.20515104
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12MnFe3P4(CO7)4
_chemical_formula_sum   'Li12 Mn1 Fe3 P4 C4 O28'
_cell_volume   556.30320415
_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  0.90796900  0.62035800  1
  Li  Li1  1  0.00000000  0.90952400  0.12067300  1
  Li  Li2  1  0.22530600  0.72556700  0.87568900  1
  Li  Li3  1  0.77469400  0.72556700  0.87568900  1
  Li  Li4  1  0.22613600  0.72636700  0.37655000  1
  Li  Li5  1  0.77386400  0.72636700  0.37655000  1
  Li  Li6  1  0.72421200  0.27456600  0.62355600  1
  Li  Li7  1  0.27578800  0.27456600  0.62355600  1
  Li  Li8  1  0.72465700  0.27401200  0.12305800  1
  Li  Li9  1  0.27534300  0.27401200  0.12305800  1
  Li  Li10  1  0.50000000  0.09174600  0.87973000  1
  Li  Li11  1  0.50000000  0.09296600  0.38021300  1
  Mn  Mn12  1  0.00000000  0.34059300  0.38901900  1
  Fe  Fe13  1  0.50000000  0.66534400  0.60577800  1
  Fe  Fe14  1  0.50000000  0.66468100  0.10634200  1
  Fe  Fe15  1  0.00000000  0.33399900  0.89448300  1
  P  P16  1  0.00000000  0.58699800  0.64165000  1
  P  P17  1  0.00000000  0.58966200  0.13966800  1
  P  P18  1  0.50000000  0.41220800  0.85926600  1
  P  P19  1  0.50000000  0.41117900  0.36001300  1
  C  C20  1  0.50000000  0.96565900  0.64883400  1
  C  C21  1  0.50000000  0.96588400  0.14856600  1
  C  C22  1  0.00000000  0.03473200  0.85132700  1
  C  C23  1  0.00000000  0.03273600  0.35175100  1
  O  O24  1  0.50000000  0.92873800  0.52624200  1
  O  O25  1  0.00000000  0.88866500  0.82200000  1
  O  O26  1  0.50000000  0.92911100  0.02600300  1
  O  O27  1  0.50000000  0.85276200  0.74531900  1
  O  O28  1  0.00000000  0.88658600  0.32218000  1
  O  O29  1  0.50000000  0.85282100  0.24501000  1
  O  O30  1  0.18665800  0.68854600  0.58801700  1
  O  O31  1  0.81334200  0.68854600  0.58801700  1
  O  O32  1  0.18704200  0.68985300  0.08603500  1
  O  O33  1  0.81295800  0.68985300  0.08603500  1
  O  O34  1  0.50000000  0.57826400  0.90961100  1
  O  O35  1  0.00000000  0.57195700  0.79785200  1
  O  O36  1  0.50000000  0.57822600  0.40939100  1
  O  O37  1  0.00000000  0.57639800  0.29568600  1
  O  O38  1  0.50000000  0.42821300  0.70316000  1
  O  O39  1  0.00000000  0.42091600  0.59201700  1
  O  O40  1  0.50000000  0.42809600  0.20347800  1
  O  O41  1  0.00000000  0.42171400  0.09297100  1
  O  O42  1  0.31327300  0.31083000  0.91255000  1
  O  O43  1  0.68672700  0.31083000  0.91255000  1
  O  O44  1  0.68480800  0.30939900  0.41349400  1
  O  O45  1  0.31519200  0.30939900  0.41349400  1
  O  O46  1  0.00000000  0.14705900  0.75488100  1
  O  O47  1  0.50000000  0.11101900  0.67822700  1
  O  O48  1  0.00000000  0.14420300  0.25461000  1
  O  O49  1  0.00000000  0.07130700  0.97369400  1
  O  O50  1  0.50000000  0.11122300  0.17794500  1
  O  O51  1  0.00000000  0.06856400  0.47415400  1
