# generated using pymatgen
data_Li3Mn(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12067106
_cell_length_b   5.12067106
_cell_length_c   9.97400618
_cell_angle_alpha   84.89973014
_cell_angle_beta   84.89973014
_cell_angle_gamma   58.54271826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn(NiO3)2
_chemical_formula_sum   'Li6 Mn2 Ni4 O12'
_cell_volume   221.93221652
_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  0.18631100  0.46889100  0.25533400  1
  Li  Li1  1  0.13457100  0.86542900  0.75000000  1
  Li  Li2  1  0.46889100  0.18631100  0.75533400  1
  Li  Li3  1  0.53110900  0.81368900  0.24466600  1
  Li  Li4  1  0.86542900  0.13457100  0.25000000  1
  Li  Li5  1  0.81368900  0.53110900  0.74466600  1
  Mn  Mn6  1  0.00000000  0.50000000  0.00000000  1
  Mn  Mn7  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni8  1  0.17110000  0.66329200  0.50029100  1
  Ni  Ni9  1  0.66329200  0.17110000  0.00029100  1
  Ni  Ni10  1  0.33670800  0.82890000  0.99970900  1
  Ni  Ni11  1  0.82890000  0.33670800  0.49970900  1
  O  O12  1  0.99185300  0.80859400  0.10769000  1
  O  O13  1  0.32561700  0.50507800  0.88802700  1
  O  O14  1  0.19140600  0.00814700  0.39231000  1
  O  O15  1  0.50507800  0.32561700  0.38802700  1
  O  O16  1  0.49492200  0.67438300  0.61197300  1
  O  O17  1  0.17493400  0.31010500  0.61051500  1
  O  O18  1  0.80859400  0.99185300  0.60769000  1
  O  O19  1  0.67438300  0.49492200  0.11197300  1
  O  O20  1  0.31010500  0.17493400  0.11051500  1
  O  O21  1  0.00814700  0.19140600  0.89231000  1
  O  O22  1  0.68989500  0.82506600  0.88948500  1
  O  O23  1  0.82506600  0.68989500  0.38948500  1
