# generated using pymatgen
data_Li3Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81080600
_cell_length_b   5.81080600
_cell_length_c   9.49562835
_cell_angle_alpha   89.68053652
_cell_angle_beta   89.68053652
_cell_angle_gamma   119.13745792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn3NiO8
_chemical_formula_sum   'Li6 Mn6 Ni2 O16'
_cell_volume   280.03365370
_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  0.16814700  0.82146800  0.44384100  1
  Li  Li1  1  0.17089300  0.34915800  0.44373300  1
  Li  Li2  1  0.65211300  0.82417100  0.44397500  1
  Li  Li3  1  0.34915800  0.17089300  0.94373300  1
  Li  Li4  1  0.82417100  0.65211300  0.94397500  1
  Li  Li5  1  0.82146800  0.16814700  0.94384100  1
  Mn  Mn6  1  0.16737600  0.83306600  0.71375800  1
  Mn  Mn7  1  0.16738600  0.33498500  0.71457600  1
  Mn  Mn8  1  0.66430200  0.83197300  0.71462900  1
  Mn  Mn9  1  0.33498500  0.16738600  0.21457600  1
  Mn  Mn10  1  0.83197300  0.66430200  0.21462900  1
  Mn  Mn11  1  0.83306600  0.16737600  0.21375800  1
  Ni  Ni12  1  0.33562200  0.67048400  0.99302800  1
  Ni  Ni13  1  0.67048400  0.33562200  0.49302800  1
  O  O14  1  0.16225900  0.84914200  0.10341400  1
  O  O15  1  0.03002800  0.51642500  0.83609600  1
  O  O16  1  0.15764500  0.31623100  0.10176300  1
  O  O17  1  0.30244800  0.65148000  0.59419900  1
  O  O18  1  0.47847000  0.96560400  0.83324100  1
  O  O19  1  0.48062300  0.51164900  0.83562800  1
  O  O20  1  0.31623100  0.15764500  0.60176300  1
  O  O21  1  0.69067500  0.84951700  0.10031200  1
  O  O22  1  0.51164900  0.48062300  0.33562800  1
  O  O23  1  0.51642500  0.03002800  0.33609600  1
  O  O24  1  0.01554200  0.03053300  0.32915200  1
  O  O25  1  0.65148000  0.30244800  0.09419900  1
  O  O26  1  0.03053300  0.01554200  0.82915200  1
  O  O27  1  0.84951700  0.69067500  0.60031200  1
  O  O28  1  0.96560400  0.47847000  0.33324100  1
  O  O29  1  0.84914200  0.16225900  0.60341400  1
