# generated using pymatgen
data_Li5Mn5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16780235
_cell_length_b   5.16780235
_cell_length_c   9.84884144
_cell_angle_alpha   84.97348697
_cell_angle_beta   84.97348697
_cell_angle_gamma   119.64324313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Mn5(NiO6)2
_chemical_formula_sum   'Li5 Mn5 Ni2 O12'
_cell_volume   225.10167724
_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  0.82485800  0.65666500  0.25650300  1
  Li  Li1  1  0.67791000  0.84365700  0.74070900  1
  Li  Li2  1  0.34333500  0.17514200  0.74349700  1
  Li  Li3  1  0.15634300  0.32209000  0.25929100  1
  Li  Li4  1  0.07816900  0.92183100  0.50000000  1
  Mn  Mn5  1  0.92638600  0.07361400  0.00000000  1
  Mn  Mn6  1  0.00928000  0.51932400  0.74319600  1
  Mn  Mn7  1  0.48067600  0.99072000  0.25680400  1
  Mn  Mn8  1  0.58335900  0.41664100  0.00000000  1
  Mn  Mn9  1  0.41884000  0.58116000  0.50000000  1
  Ni  Ni10  1  0.74537700  0.25462300  0.50000000  1
  Ni  Ni11  1  0.25394300  0.74605700  0.00000000  1
  O  O12  1  0.06082100  0.25499900  0.61878900  1
  O  O13  1  0.74500100  0.93917900  0.38121100  1
  O  O14  1  0.83586000  0.35011200  0.12713500  1
  O  O15  1  0.64988800  0.16414000  0.87286500  1
  O  O16  1  0.69401000  0.54623700  0.61374700  1
  O  O17  1  0.45376300  0.30599000  0.38625300  1
  O  O18  1  0.54370700  0.69568400  0.11277900  1
  O  O19  1  0.30431600  0.45629300  0.88722100  1
  O  O20  1  0.37207100  0.85053800  0.62173700  1
  O  O21  1  0.14946200  0.62792900  0.37826300  1
  O  O22  1  0.20793700  0.01531200  0.13279400  1
  O  O23  1  0.98468800  0.79206300  0.86720600  1
