# generated using pymatgen
data_Li3Mn(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88999747
_cell_length_b   12.91675155
_cell_length_c   5.89424881
_cell_angle_alpha   76.78926612
_cell_angle_beta   90.01500568
_cell_angle_gamma   90.00241921
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn(NiO3)2
_chemical_formula_sum   'Li6 Mn2 Ni4 O12'
_cell_volume   214.20582727
_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  0.00000000  0.66669700  0.16666300  1
  Li  Li1  1  0.50000000  0.16663200  0.16667800  1
  Li  Li2  1  0.99999900  0.99790200  0.49451900  1
  Li  Li3  1  0.50000000  0.49793800  0.49457200  1
  Li  Li4  1  0.00000100  0.33541100  0.83879500  1
  Li  Li5  1  0.50000100  0.83540600  0.83879000  1
  Mn  Mn6  1  0.49997200  0.16670100  0.66663400  1
  Mn  Mn7  1  0.00002800  0.66665100  0.66669500  1
  Ni  Ni8  1  0.99997300  0.99810800  0.00462000  1
  Ni  Ni9  1  0.00002400  0.33519700  0.32868400  1
  Ni  Ni10  1  0.49997300  0.49811600  0.00465300  1
  Ni  Ni11  1  0.50003000  0.83522300  0.32869700  1
  O  O12  1  0.00017600  0.51244600  0.75557300  1
  O  O13  1  0.50017100  0.01247900  0.75547700  1
  O  O14  1  0.99983100  0.82084700  0.57787100  1
  O  O15  1  0.49982200  0.32090600  0.57775000  1
  O  O16  1  0.00018900  0.83325100  0.09577400  1
  O  O17  1  0.50018900  0.33328500  0.09579800  1
  O  O18  1  0.99981000  0.50005700  0.23749000  1
  O  O19  1  0.49981300  0.00007300  0.23760300  1
  O  O20  1  0.99994100  0.16457100  0.44668700  1
  O  O21  1  0.49995300  0.66452700  0.44662400  1
  O  O22  1  0.00004500  0.16882500  0.88658800  1
  O  O23  1  0.50006100  0.66875400  0.88677100  1
