# generated using pymatgen
data_Li4Mn5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91998200
_cell_length_b   5.18731900
_cell_length_c   9.83410023
_cell_angle_alpha   79.29749843
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn5(NiO6)2
_chemical_formula_sum   'Li8 Mn10 Ni4 O24'
_cell_volume   447.11619108
_cell_formula_units_Z   2
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  0.91794600  0.48681800  0.26346600  1
  Li  Li1  1  0.58900600  0.00737400  0.74258200  1
  Li  Li2  1  0.57575400  0.75050800  0.49543500  1
  Li  Li3  1  0.58031800  0.49537200  0.25878300  1
  Li  Li4  1  0.41794600  0.51318200  0.73653400  1
  Li  Li5  1  0.07575400  0.24949200  0.50456500  1
  Li  Li6  1  0.08900600  0.99262600  0.25741800  1
  Li  Li7  1  0.08031800  0.50462800  0.74121700  1
  Mn  Mn8  1  0.92742500  0.24189500  0.99841500  1
  Mn  Mn9  1  0.91847900  0.75551300  0.50057200  1
  Mn  Mn10  1  0.73664800  0.98995300  0.26044300  1
  Mn  Mn11  1  0.74594500  0.51539100  0.74083600  1
  Mn  Mn12  1  0.58447000  0.25363400  0.00335400  1
  Mn  Mn13  1  0.41847900  0.24448700  0.49942800  1
  Mn  Mn14  1  0.42742500  0.75810500  0.00158500  1
  Mn  Mn15  1  0.23664800  0.01004700  0.73955700  1
  Mn  Mn16  1  0.24594500  0.48460900  0.25916400  1
  Mn  Mn17  1  0.08447000  0.74636600  0.99664600  1
  Ni  Ni18  1  0.74679900  0.24727100  0.50580800  1
  Ni  Ni19  1  0.75525700  0.75449500  0.99442600  1
  Ni  Ni20  1  0.25525700  0.24550500  0.00557400  1
  Ni  Ni21  1  0.24679900  0.75272900  0.49419200  1
  O  O22  1  0.89952600  0.10008200  0.37718300  1
  O  O23  1  0.92579000  0.88661100  0.10507500  1
  O  O24  1  0.92534500  0.59511000  0.89490100  1
  O  O25  1  0.75381800  0.85208000  0.61807400  1
  O  O26  1  0.74233500  0.16509800  0.87920300  1
  O  O27  1  0.90237500  0.41522800  0.61874800  1
  O  O28  1  0.75844300  0.64506200  0.37519800  1
  O  O29  1  0.57922400  0.13585300  0.39032500  1
  O  O30  1  0.60102400  0.85945200  0.12468600  1
  O  O31  1  0.74782600  0.33907000  0.12706400  1
  O  O32  1  0.59347100  0.64004900  0.86745300  1
  O  O33  1  0.42579000  0.11338900  0.89492500  1
  O  O34  1  0.39952600  0.89991800  0.62281700  1
  O  O35  1  0.57276300  0.36748700  0.61697600  1
  O  O36  1  0.25381800  0.14792000  0.38192600  1
  O  O37  1  0.40237500  0.58477200  0.38125200  1
  O  O38  1  0.42534500  0.40489000  0.10509900  1
  O  O39  1  0.24233500  0.83490200  0.12079700  1
  O  O40  1  0.10102400  0.14054800  0.87531400  1
  O  O41  1  0.25844300  0.35493800  0.62480200  1
  O  O42  1  0.24782600  0.66093000  0.87293600  1
  O  O43  1  0.07922400  0.86414700  0.60967500  1
  O  O44  1  0.07276300  0.63251300  0.38302400  1
  O  O45  1  0.09347100  0.35995100  0.13254700  1
