# generated using pymatgen
data_Li12Mn3NiP4(CO7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58180600
_cell_length_b   8.51523400
_cell_length_c   9.99107530
_cell_angle_alpha   85.51169881
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li12Mn3NiP4(CO7)4
_chemical_formula_sum   'Li12 Mn3 Ni1 P4 C4 O28'
_cell_volume   558.23879349
_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  0.90776500  0.61943800  1
  Li  Li1  1  0.00000000  0.90397200  0.11886000  1
  Li  Li2  1  0.22416500  0.72693300  0.87689600  1
  Li  Li3  1  0.77583500  0.72693300  0.87689600  1
  Li  Li4  1  0.22417100  0.72563700  0.37625000  1
  Li  Li5  1  0.77582900  0.72563700  0.37625000  1
  Li  Li6  1  0.72474200  0.27290100  0.62188100  1
  Li  Li7  1  0.27525800  0.27290100  0.62188100  1
  Li  Li8  1  0.72513800  0.27375200  0.12461900  1
  Li  Li9  1  0.27486200  0.27375200  0.12461900  1
  Li  Li10  1  0.50000000  0.09339300  0.88037600  1
  Li  Li11  1  0.50000000  0.09301500  0.37988400  1
  Mn  Mn12  1  0.50000000  0.65970400  0.61122800  1
  Mn  Mn13  1  0.50000000  0.65950800  0.11157200  1
  Mn  Mn14  1  0.00000000  0.33981900  0.88886800  1
  Ni  Ni15  1  0.00000000  0.33316400  0.39657400  1
  P  P16  1  0.00000000  0.59010700  0.63627500  1
  P  P17  1  0.00000000  0.58637700  0.14186300  1
  P  P18  1  0.50000000  0.40909300  0.86055200  1
  P  P19  1  0.50000000  0.40967800  0.35991400  1
  C  C20  1  0.50000000  0.96735900  0.64870000  1
  C  C21  1  0.50000000  0.96716300  0.14871900  1
  C  C22  1  0.00000000  0.03269500  0.85162100  1
  C  C23  1  0.00000000  0.03938600  0.35157700  1
  O  O24  1  0.50000000  0.93002400  0.52578000  1
  O  O25  1  0.00000000  0.88620700  0.82196700  1
  O  O26  1  0.50000000  0.92947600  0.02581400  1
  O  O27  1  0.50000000  0.85579000  0.74615500  1
  O  O28  1  0.00000000  0.89335400  0.32157600  1
  O  O29  1  0.50000000  0.85580500  0.24628200  1
  O  O30  1  0.18401500  0.69102600  0.58368700  1
  O  O31  1  0.81598500  0.69102600  0.58368700  1
  O  O32  1  0.18321300  0.68908400  0.08886900  1
  O  O33  1  0.81678700  0.68908400  0.08886900  1
  O  O34  1  0.50000000  0.57969600  0.90530900  1
  O  O35  1  0.00000000  0.57479500  0.79332400  1
  O  O36  1  0.50000000  0.58011700  0.40486100  1
  O  O37  1  0.00000000  0.56650000  0.29930400  1
  O  O38  1  0.50000000  0.42261700  0.70335000  1
  O  O39  1  0.00000000  0.42067600  0.58863000  1
  O  O40  1  0.50000000  0.42257000  0.20285900  1
  O  O41  1  0.00000000  0.41967700  0.09117200  1
  O  O42  1  0.31608500  0.30949400  0.91478900  1
  O  O43  1  0.68391500  0.30949400  0.91478900  1
  O  O44  1  0.68644600  0.31096900  0.41369000  1
  O  O45  1  0.31355400  0.31096900  0.41369000  1
  O  O46  1  0.00000000  0.14394500  0.75407100  1
  O  O47  1  0.50000000  0.11339000  0.67801100  1
  O  O48  1  0.00000000  0.15373300  0.25689000  1
  O  O49  1  0.00000000  0.06948600  0.97447500  1
  O  O50  1  0.50000000  0.11318800  0.17794400  1
  O  O51  1  0.00000000  0.07716300  0.47484200  1
