# generated using pymatgen
data_Li3Mn2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99779840
_cell_length_b   6.53399996
_cell_length_c   5.98133275
_cell_angle_alpha   103.48992729
_cell_angle_beta   89.98772433
_cell_angle_gamma   103.26094176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2NiO6
_chemical_formula_sum   'Li3 Mn2 Ni1 O6'
_cell_volume   110.71393683
_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  0.66663700  0.33327000  0.83332400  1
  Li  Li1  1  0.00306600  0.00609600  0.49841600  1
  Li  Li2  1  0.33032300  0.66067200  0.16826500  1
  Mn  Mn3  1  0.00180900  0.00339800  0.00525500  1
  Mn  Mn4  1  0.33149800  0.66324200  0.66135800  1
  Ni  Ni5  1  0.66668000  0.33335400  0.33335500  1
  O  O6  1  0.49839400  0.99661600  0.22826300  1
  O  O7  1  0.83494300  0.67005400  0.43850100  1
  O  O8  1  0.84150800  0.68283100  0.90376400  1
  O  O9  1  0.49181200  0.98380800  0.76282300  1
  O  O10  1  0.17796700  0.35613900  0.58354400  1
  O  O11  1  0.15536600  0.31052700  0.08312800  1
