# generated using pymatgen
data_Li2Mn2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59523800
_cell_length_b   6.64504209
_cell_length_c   8.33768239
_cell_angle_alpha   70.03746725
_cell_angle_beta   70.80067416
_cell_angle_gamma   82.85268629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mn2NiO6
_chemical_formula_sum   'Li6 Mn6 Ni3 O18'
_cell_volume   324.31635519
_cell_formula_units_Z   3
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  0.68001000  0.99983300  0.83254400  1
  Li  Li1  1  0.67935200  0.33640500  0.49594900  1
  Li  Li2  1  0.00007200  0.33505900  0.16496600  1
  Li  Li3  1  0.99992800  0.66494100  0.83503400  1
  Li  Li4  1  0.31999000  0.00016700  0.16745600  1
  Li  Li5  1  0.32064800  0.66359500  0.50405100  1
  Mn  Mn6  1  0.67284800  0.99707500  0.33094500  1
  Mn  Mn7  1  0.66906400  0.33470700  0.99875000  1
  Mn  Mn8  1  0.33093600  0.66529300  0.00125000  1
  Mn  Mn9  1  0.32715200  0.00292500  0.66905500  1
  Mn  Mn10  1  0.67460600  0.66512700  0.66479100  1
  Mn  Mn11  1  0.32539400  0.33487300  0.33520900  1
  Ni  Ni12  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni13  1  0.00364000  0.33034800  0.66772900  1
  Ni  Ni14  1  0.99636000  0.66965200  0.33227100  1
  O  O15  1  0.03608900  0.66849800  0.07374300  1
  O  O16  1  0.02728200  0.00348300  0.75238000  1
  O  O17  1  0.35013900  0.69291900  0.75262900  1
  O  O18  1  0.97271800  0.99651700  0.24762000  1
  O  O19  1  0.96391100  0.33150200  0.92625700  1
  O  O20  1  0.34133700  0.97084000  0.90686100  1
  O  O21  1  0.02630500  0.34490300  0.40934700  1
  O  O22  1  0.35423900  0.01801300  0.42161800  1
  O  O23  1  0.34745300  0.35103500  0.09386700  1
  O  O24  1  0.66102700  0.68613600  0.43443600  1
  O  O25  1  0.65866300  0.02916000  0.09313900  1
  O  O26  1  0.67056700  0.35512700  0.76055100  1
  O  O27  1  0.97369500  0.65509700  0.59065300  1
  O  O28  1  0.33897300  0.31386400  0.56556400  1
  O  O29  1  0.32943300  0.64487300  0.23944900  1
  O  O30  1  0.64576100  0.98198700  0.57838200  1
  O  O31  1  0.64986100  0.30708100  0.24737100  1
  O  O32  1  0.65254700  0.64896500  0.90613300  1
