# generated using pymatgen
data_Li12MnNi3P4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46179100
_cell_length_b   8.37387700
_cell_length_c   9.98027926
_cell_angle_alpha   85.24840450
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12MnNi3P4(CO7)4
_chemical_formula_sum   'Li12 Mn1 Ni3 P4 C4 O28'
_cell_volume   538.17934090
_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  0.90083400  0.61745800  1
  Li  Li1  1  0.00000000  0.90759700  0.11860600  1
  Li  Li2  1  0.22869800  0.72329600  0.87631800  1
  Li  Li3  1  0.77130200  0.72329600  0.87631800  1
  Li  Li4  1  0.22874500  0.72511000  0.37722900  1
  Li  Li5  1  0.77125500  0.72511000  0.37722900  1
  Li  Li6  1  0.72831500  0.27692900  0.62567000  1
  Li  Li7  1  0.27168500  0.27692900  0.62567000  1
  Li  Li8  1  0.72768100  0.27553300  0.12113800  1
  Li  Li9  1  0.27231900  0.27553300  0.12113800  1
  Li  Li10  1  0.50000000  0.09710800  0.88255300  1
  Li  Li11  1  0.50000000  0.09757000  0.38343300  1
  Mn  Mn12  1  0.00000000  0.34071400  0.38875700  1
  Ni  Ni13  1  0.50000000  0.66743000  0.60442300  1
  Ni  Ni14  1  0.50000000  0.66807600  0.10283500  1
  Ni  Ni15  1  0.00000000  0.33309700  0.89712400  1
  P  P16  1  0.00000000  0.58522200  0.64317800  1
  P  P17  1  0.00000000  0.59013100  0.13543600  1
  P  P18  1  0.50000000  0.41548500  0.86101200  1
  P  P19  1  0.50000000  0.41487100  0.36180900  1
  C  C20  1  0.50000000  0.96018700  0.64860200  1
  C  C21  1  0.50000000  0.96051700  0.14835900  1
  C  C22  1  0.00000000  0.04014800  0.85101100  1
  C  C23  1  0.00000000  0.03099000  0.35100000  1
  O  O24  1  0.50000000  0.92347000  0.52498400  1
  O  O25  1  0.00000000  0.89300200  0.82037000  1
  O  O26  1  0.50000000  0.92446000  0.02468000  1
  O  O27  1  0.50000000  0.84318600  0.74299700  1
  O  O28  1  0.00000000  0.88296100  0.32135900  1
  O  O29  1  0.50000000  0.84293900  0.24240900  1
  O  O30  1  0.18671700  0.68959800  0.59059500  1
  O  O31  1  0.81328300  0.68959800  0.59059500  1
  O  O32  1  0.18748500  0.69249400  0.08269900  1
  O  O33  1  0.81251500  0.69249400  0.08269900  1
  O  O34  1  0.50000000  0.58223100  0.91573000  1
  O  O35  1  0.00000000  0.56422900  0.80037300  1
  O  O36  1  0.50000000  0.58165600  0.41678800  1
  O  O37  1  0.00000000  0.57371200  0.29203400  1
  O  O38  1  0.50000000  0.43881200  0.70419100  1
  O  O39  1  0.00000000  0.41745700  0.59060200  1
  O  O40  1  0.50000000  0.43892400  0.20488800  1
  O  O41  1  0.00000000  0.41857700  0.08779600  1
  O  O42  1  0.31330200  0.30980900  0.91193200  1
  O  O43  1  0.68669800  0.30980900  0.91193200  1
  O  O44  1  0.68454600  0.30846200  0.41306200  1
  O  O45  1  0.31545400  0.30846200  0.41306200  1
  O  O46  1  0.00000000  0.15734900  0.75682400  1
  O  O47  1  0.50000000  0.10750500  0.67953500  1
  O  O48  1  0.00000000  0.14434700  0.25338600  1
  O  O49  1  0.00000000  0.07737000  0.97454200  1
  O  O50  1  0.50000000  0.10771500  0.17964000  1
  O  O51  1  0.00000000  0.06765900  0.47399400  1
